 Entering Gaussian System, Link 0=g16
 Input=30_ibuprofen_conformer01_STD_wB97XD_augccpVDZ.in
 Output=30_ibuprofen_conformer01_STD_wB97XD_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/30_conformer04/Gau-31073.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/30_conformer04/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     31100.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=30_ibuprofen_conformer01_STD_wB97XD_augccpVDZ
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Wed Sep  8 12:29:37 2021, MaxMem=  6442450944 cpu:               1.9 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "30_ibuprofen_conformer01_STD_wB97XD_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.646549000000     -0.738131000000     -0.801564000000
  C                                                -1.432592000000     -0.511522000000      0.329783000000
  C                                                 0.680010000000     -0.338401000000     -0.847846000000
  C                                                 1.266867000000      0.302071000000      0.243935000000
  C                                                 0.492409000000      0.520436000000      1.377965000000
  C                                                -0.838534000000      0.122026000000      1.417910000000
  C                                                -2.882387000000     -0.913637000000      0.347539000000
  C                                                -3.797679000000      0.013396000000     -0.476375000000
  C                                                -3.787727000000      1.442814000000      0.061806000000
  C                                                -5.218015000000     -0.547768000000     -0.520760000000
  C                                                 2.713060000000      0.767110000000      0.191830000000
  C                                                 3.602939000000     -0.429270000000     -0.086386000000
  O                                                 3.981236000000     -0.787282000000     -1.171710000000
  O                                                 3.915201000000     -1.096316000000      1.047826000000
  H                                                -1.080077000000     -1.240686000000     -1.658424000000
  H                                                 1.270566000000     -0.537518000000     -1.733203000000
  H                                                 0.933056000000      1.005917000000      2.240389000000
  H                                                -1.424007000000      0.306057000000      2.310676000000
  H                                                -3.244624000000     -0.936082000000      1.379648000000
  H                                                -2.980608000000     -1.931165000000     -0.041430000000
  H                                                -3.406098000000      0.034214000000     -1.499523000000
  H                                                -4.163541000000      1.470389000000      1.088857000000
  H                                                -4.425556000000      2.090476000000     -0.542757000000
  H                                                -2.782177000000      1.864314000000      0.062741000000
  H                                                -5.646809000000     -0.595436000000      0.484188000000
  H                                                -5.235024000000     -1.556669000000     -0.938514000000
  H                                                -5.870883000000      0.080410000000     -1.129959000000
  H                                                 2.976513000000      1.139253000000      1.182625000000
  C                                                 2.933498000000      1.865447000000     -0.850054000000
  H                                                 4.436417000000     -1.871707000000      0.786177000000
  H                                                 2.278614000000      2.710285000000     -0.637065000000
  H                                                 2.713092000000      1.497500000000     -1.850637000000
  H                                                 3.967865000000      2.211791000000     -0.839432000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     33 NQM=       33 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          16          16           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1          12           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           0           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000

  Atom        31          32          33
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Wed Sep  8 12:29:37 2021, MaxMem=  6442450944 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.646549   -0.738131   -0.801564
      2          6           0       -1.432592   -0.511522    0.329783
      3          6           0        0.680010   -0.338401   -0.847846
      4          6           0        1.266867    0.302071    0.243935
      5          6           0        0.492409    0.520436    1.377965
      6          6           0       -0.838534    0.122026    1.417910
      7          6           0       -2.882387   -0.913637    0.347539
      8          6           0       -3.797679    0.013396   -0.476375
      9          6           0       -3.787727    1.442814    0.061806
     10          6           0       -5.218015   -0.547768   -0.520760
     11          6           0        2.713060    0.767110    0.191830
     12          6           0        3.602939   -0.429270   -0.086386
     13          8           0        3.981236   -0.787282   -1.171710
     14          8           0        3.915201   -1.096316    1.047826
     15          1           0       -1.080077   -1.240686   -1.658424
     16          1           0        1.270566   -0.537518   -1.733203
     17          1           0        0.933056    1.005917    2.240389
     18          1           0       -1.424007    0.306057    2.310676
     19          1           0       -3.244624   -0.936082    1.379648
     20          1           0       -2.980608   -1.931165   -0.041430
     21          1           0       -3.406098    0.034214   -1.499523
     22          1           0       -4.163541    1.470389    1.088857
     23          1           0       -4.425556    2.090476   -0.542757
     24          1           0       -2.782177    1.864314    0.062741
     25          1           0       -5.646809   -0.595436    0.484188
     26          1           0       -5.235024   -1.556669   -0.938514
     27          1           0       -5.870883    0.080410   -1.129959
     28          1           0        2.976513    1.139253    1.182625
     29          6           0        2.933498    1.865447   -0.850054
     30          1           0        4.436417   -1.871707    0.786177
     31          1           0        2.278614    2.710285   -0.637065
     32          1           0        2.713092    1.497500   -1.850637
     33          1           0        3.967865    2.211791   -0.839432
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.396124   0.000000
     3  C    1.386248   2.424844   0.000000
     4  C    2.415833   2.820706   1.395203   0.000000
     5  C    2.762528   2.422654   2.393121   1.390501   0.000000
     6  C    2.388052   1.392231   2.766156   2.417302   1.389869
     7  C    2.519963   1.504632   3.801383   4.324926   3.808883
     8  C    3.255789   2.553246   4.506823   5.123652   4.701119
     9  C    3.920322   3.072117   4.894984   5.184919   4.571938
    10  C    4.584036   3.879970   5.910797   6.584883   6.111887
    11  C    3.813077   4.340549   2.537001   1.520017   2.529635
    12  C    4.320304   5.053369   3.021852   2.470062   3.566744
    13  O    4.642824   5.624950   3.347309   3.249391   4.514741
    14  O    4.935393   5.427381   3.825502   3.100871   3.799787
    15  H    1.083844   2.146838   2.137536   3.392229   3.846287
    16  H    2.140917   3.400537   1.082710   2.148022   3.377005
    17  H    3.845820   3.398430   3.377635   2.143049   1.083345
    18  H    3.373545   2.142999   3.849477   3.392969   2.142092
    19  H    3.398068   2.136803   4.552110   4.814189   4.010843
    20  H    2.729279   2.132965   4.072754   4.807267   4.481839
    21  H    2.949368   2.745708   4.154492   4.994797   4.869775
    22  H    4.562947   3.458648   5.521098   5.618558   4.760658
    23  H    4.727462   4.060733   5.662096   6.018385   5.508228
    24  H    3.475723   2.745412   4.203315   4.343753   3.776074
    25  H    5.164893   4.217879   6.470627   6.975827   6.303492
    26  H    4.662924   4.142390   6.039870   6.864961   6.517970
    27  H    5.298256   4.709528   6.570326   7.272152   6.853816
    28  H    4.537417   4.784622   3.402969   2.122475   2.567463
    29  C    4.426930   5.109280   3.152009   2.533499   3.568198
    30  H    5.444489   6.041826   4.373974   3.881415   4.650566
    31  H    4.524954   5.008781   3.448833   2.756681   3.470780
    32  H    4.169627   5.096773   2.917112   2.812090   4.038559
    33  H    5.476887   6.160230   4.160954   3.480820   4.456044
                    6          7          8          9         10
     6  C    0.000000
     7  C    2.528958   0.000000
     8  C    3.515203   1.541423   0.000000
     9  C    3.504460   2.540501   1.527407   0.000000
    10  C    4.836002   2.518524   1.527819   2.519429   0.000000
    11  C    3.812247   5.844500   6.588194   6.537103   8.070851
    12  C    4.721601   6.517849   7.424095   7.625523   8.832437
    13  O    5.546454   7.030889   7.850866   8.176287   9.225363
    14  O    4.921312   6.836006   7.939973   8.170344   9.283157
    15  H    3.373301   2.716463   3.217969   4.182312   4.347062
    16  H    3.848742   4.660254   5.250736   5.721023   6.600894
    17  H    2.143890   4.671742   5.544886   5.217556   6.919072
    18  H    1.083364   2.732843   3.672550   3.454968   4.810462
    19  H    2.628750   1.094061   2.156896   2.773232   2.767058
    20  H    3.306622   1.093758   2.153625   3.470711   2.673861
    21  H    3.887353   2.141105   1.095719   2.137181   2.140029
    22  H    3.603058   2.806152   2.169478   1.093997   2.788501
    23  H    4.537151   3.492663   2.170921   1.091691   2.754779
    24  H    2.941054   2.794309   2.178942   1.090318   3.477344
    25  H    4.950363   2.786028   2.170861   2.790888   1.093644
    26  H    5.263067   2.757231   2.178219   3.477385   1.092103
    27  H    5.640736   3.478827   2.174819   2.759708   1.091773
    28  H    3.955337   6.264059   7.064666   6.863186   8.538024
    29  C    4.734068   6.556070   6.991314   6.795953   8.507597
    30  H    5.674431   7.394268   8.540959   8.896477   9.832037
    31  H    4.542975   6.382647   6.649840   6.236617   8.174832
    32  H    5.018902   6.477264   6.817720   6.776509   8.297840
    33  H    5.706503   7.622542   8.078888   7.845557   9.596724
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.516777   0.000000
    13  O    2.425623   1.203831   0.000000
    14  O    2.377021   1.352366   2.241919   0.000000
    15  H    4.673604   5.006030   5.104836   5.683083   0.000000
    16  H    2.736530   2.857217   2.779458   3.878205   2.454702
    17  H    2.724342   3.821246   4.914202   3.838591   4.929571
    18  H    4.670910   5.617544   6.522197   5.662913   4.273694
    19  H    6.309182   7.021056   7.664504   7.169301   3.742717
    20  H    6.304994   6.752836   7.145157   7.031048   2.589102
    21  H    6.390767   7.165080   7.440095   7.833805   2.657253
    22  H    6.970430   8.081343   8.748979   8.476776   4.940165
    23  H    7.297311   8.426988   8.907930   9.069389   4.851142
    24  H    5.605190   6.786197   7.368757   7.388545   3.937077
    25  H    8.475224   9.268819   9.771287   9.591695   5.085487
    26  H    8.357611   8.950237   9.251259   9.374651   4.228676
    27  H    8.712219   9.544743   9.890343  10.094299   4.997639
    28  H    1.090675   2.112596   3.203732   2.428389   5.494688
    29  C    1.529856   2.509396   2.870224   3.652086   5.139096
    30  H    3.207267   1.880605   2.283963   0.970236   6.066792
    31  H    2.156789   3.451650   3.926543   4.472973   5.285277
    32  H    2.169134   2.759864   2.699881   4.071122   4.682173
    33  H    2.173739   2.770461   3.017454   3.808948   6.170256
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.276159   0.000000
    18  H    4.932069   2.459774   0.000000
    19  H    5.498694   4.686709   2.392565   0.000000
    20  H    4.782973   5.399066   3.600079   1.754810   0.000000
    21  H    4.717274   5.810284   4.303510   3.042560   2.483907
    22  H    6.444007   5.245671   3.217694   2.592310   3.774579
    23  H    6.385086   6.134891   4.509493   3.774956   4.302650
    24  H    5.041720   4.391122   3.053850   3.128949   3.802090
    25  H    7.264314   6.995941   4.688369   2.586190   3.028048
    26  H    6.632714   7.397127   5.343298   3.117803   2.455076
    27  H    7.193471   7.649143   5.627041   3.772084   3.685786
    28  H    3.771455   2.304856   4.618581   6.561126   6.812714
    29  C    3.052791   3.780397   5.604441   7.140681   7.074234
    30  H    4.260276   4.761196   6.435163   7.760541   7.463292
    31  H    3.572940   3.604877   5.308379   6.918763   7.039691
    32  H    2.497192   4.488505   5.987625   7.200795   6.888192
    33  H    3.953852   4.488819   6.528958   8.176394   8.129094
                   21         22         23         24         25
    21  H    0.000000
    22  H    3.055492   0.000000
    23  H    2.486546   1.765028   0.000000
    24  H    2.485802   1.765292   1.765919   0.000000
    25  H    3.058162   2.614066   3.124132   3.799224   0.000000
    26  H    2.488094   3.797550   3.756798   4.326904   1.765677
    27  H    2.492765   3.125732   2.544433   3.760977   1.764213
    28  H    7.010902   7.148343   7.659791   5.911207   8.823754
    29  C    6.630664   7.367728   7.368904   5.788103   9.025398
    30  H    8.388206   9.231495   9.797935   8.160227  10.168162
    31  H    6.342014   6.783621   6.733421   5.178513   8.660100
    32  H    6.301506   7.478599   7.281653   5.830399   8.928591
    33  H    7.717052   8.389740   8.399539   6.818924  10.103190
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.766634   0.000000
    28  H    8.899245   9.205738   0.000000
    29  C    8.856831   8.987871   2.158933   0.000000
    30  H    9.829068  10.664088   3.369625   4.347682   0.000000
    31  H    8.645954   8.577499   2.503293   1.089949   5.260835
    32  H    8.563438   8.729957   3.065683   1.088637   4.612396
    33  H    9.945063  10.071155   2.494360   1.090863   4.420079
                   31         32         33
    31  H    0.000000
    32  H    1.769852   0.000000
    33  H    1.772856   1.762726   0.000000
 Stoichiometry    C13H18O2
 Framework group  C1[X(C13H18O2)]
 Deg. of freedom    93
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 4.81D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.646549   -0.738131   -0.801564
      2          6           0       -1.432592   -0.511522    0.329783
      3          6           0        0.680010   -0.338401   -0.847846
      4          6           0        1.266867    0.302071    0.243935
      5          6           0        0.492409    0.520436    1.377965
      6          6           0       -0.838534    0.122026    1.417910
      7          6           0       -2.882387   -0.913637    0.347539
      8          6           0       -3.797679    0.013396   -0.476375
      9          6           0       -3.787727    1.442814    0.061806
     10          6           0       -5.218015   -0.547768   -0.520760
     11          6           0        2.713060    0.767110    0.191830
     12          6           0        3.602939   -0.429270   -0.086386
     13          8           0        3.981236   -0.787282   -1.171710
     14          8           0        3.915201   -1.096316    1.047826
     15          1           0       -1.080077   -1.240686   -1.658424
     16          1           0        1.270566   -0.537518   -1.733203
     17          1           0        0.933056    1.005917    2.240389
     18          1           0       -1.424007    0.306057    2.310676
     19          1           0       -3.244624   -0.936082    1.379648
     20          1           0       -2.980608   -1.931165   -0.041430
     21          1           0       -3.406098    0.034214   -1.499523
     22          1           0       -4.163541    1.470389    1.088857
     23          1           0       -4.425556    2.090476   -0.542757
     24          1           0       -2.782177    1.864314    0.062741
     25          1           0       -5.646809   -0.595436    0.484188
     26          1           0       -5.235024   -1.556669   -0.938514
     27          1           0       -5.870883    0.080410   -1.129959
     28          1           0        2.976513    1.139253    1.182625
     29          6           0        2.933498    1.865447   -0.850054
     30          1           0        4.436417   -1.871707    0.786177
     31          1           0        2.278614    2.710285   -0.637065
     32          1           0        2.713092    1.497500   -1.850637
     33          1           0        3.967865    2.211791   -0.839432
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.5483934           0.2444328           0.2419028
 Leave Link  202 at Wed Sep  8 12:29:38 2021, MaxMem=  6442450944 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      15     16     17     18     19     20     21     22     23     24
 Centers:      25     26     27     28     30     31     32     33
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     12     29
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      13     14
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  45 primitive shells out of 564 were deleted.
 There are   537 symmetry adapted cartesian basis functions of A   symmetry.
 There are   507 symmetry adapted basis functions of A   symmetry.
   507 basis functions,   921 primitive gaussians,   537 cartesian basis functions
    56 alpha electrons       56 beta electrons
       nuclear repulsion energy       970.5421025730 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   33 NActive=   33 NUniq=   33 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0239563573 Hartrees.
 Nuclear repulsion after empirical dispersion term =      970.5181462157 Hartrees.
 Leave Link  301 at Wed Sep  8 12:29:40 2021, MaxMem=  6442450944 cpu:              17.0 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   507 RedAO= T EigKep=  1.12D-06  NBF=   507
 NBsUse=   506 1.00D-06 EigRej=  1.00D-06 NBFU=   506
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   537   537   537   537   537 MxSgAt=    33 MxSgA2=    33.
 Leave Link  302 at Wed Sep  8 12:29:42 2021, MaxMem=  6442450944 cpu:              10.0 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Wed Sep  8 12:29:42 2021, MaxMem=  6442450944 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "30_ibuprofen_conformer01_STD_wB97XD_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Wed Sep  8 12:29:44 2021, MaxMem=  6442450944 cpu:               9.8 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6441864761 LenY=  6441575855
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -656.578680727007    
 DIIS: error= 1.72D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -656.578680727007     IErMin= 1 ErrMin= 1.72D-03
 ErrMax= 1.72D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.88D-03 BMatP= 7.88D-03
 IDIUse=3 WtCom= 9.83D-01 WtEn= 1.72D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.363 Goal=   None    Shift=    0.000
 GapD=    0.363 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=4.86D-02 MaxDP=6.09D+00              OVMax= 1.10D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  3.64D-02    CP:  1.62D+00
 E= -656.584819993483     Delta-E=       -0.006139266476 Rises=F Damp=F
 DIIS: error= 2.53D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -656.584819993483     IErMin= 2 ErrMin= 2.53D-04
 ErrMax= 2.53D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.23D-04 BMatP= 7.88D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.53D-03
 Coeff-Com: -0.461D-01 0.105D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.460D-01 0.105D+01
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=7.63D-03 MaxDP=9.43D-01 DE=-6.14D-03 OVMax= 3.88D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.16D-03    CP:  1.71D+00  1.15D+00
 E= -656.584963512839     Delta-E=       -0.000143519356 Rises=F Damp=F
 DIIS: error= 2.38D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -656.584963512839     IErMin= 3 ErrMin= 2.38D-04
 ErrMax= 2.38D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.99D-05 BMatP= 1.23D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.38D-03
 Coeff-Com: -0.351D-01 0.481D+00 0.554D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.350D-01 0.480D+00 0.556D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=4.14D-04 MaxDP=4.87D-02 DE=-1.44D-04 OVMax= 1.51D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.01D-05    CP:  1.72D+00  1.16D+00  1.08D+00
 E= -656.585018887053     Delta-E=       -0.000055374214 Rises=F Damp=F
 DIIS: error= 4.65D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -656.585018887053     IErMin= 4 ErrMin= 4.65D-05
 ErrMax= 4.65D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.17D-06 BMatP= 7.99D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.172D-02-0.309D-01 0.122D+00 0.910D+00
 Coeff:     -0.172D-02-0.309D-01 0.122D+00 0.910D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=2.35D-04 MaxDP=2.72D-02 DE=-5.54D-05 OVMax= 5.59D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.07D-05    CP:  1.72D+00  1.17D+00  1.15D+00  1.53D+00
 E= -656.585022361413     Delta-E=       -0.000003474360 Rises=F Damp=F
 DIIS: error= 3.76D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -656.585022361413     IErMin= 5 ErrMin= 3.76D-05
 ErrMax= 3.76D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.91D-07 BMatP= 3.17D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.182D-02-0.481D-01 0.694D-02 0.382D+00 0.657D+00
 Coeff:      0.182D-02-0.481D-01 0.694D-02 0.382D+00 0.657D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=2.24D-05 MaxDP=1.80D-03 DE=-3.47D-06 OVMax= 2.77D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.13D-05    CP:  1.72D+00  1.17D+00  1.16D+00  1.64D+00  1.12D+00
 E= -656.585022902296     Delta-E=       -0.000000540884 Rises=F Damp=F
 DIIS: error= 6.87D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -656.585022902296     IErMin= 6 ErrMin= 6.87D-06
 ErrMax= 6.87D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.64D-08 BMatP= 5.91D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.106D-02-0.194D-01-0.103D-01 0.803D-01 0.324D+00 0.624D+00
 Coeff:      0.106D-02-0.194D-01-0.103D-01 0.803D-01 0.324D+00 0.624D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=1.06D-05 MaxDP=1.21D-03 DE=-5.41D-07 OVMax= 9.17D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.34D-06    CP:  1.72D+00  1.17D+00  1.15D+00  1.65D+00  1.17D+00
                    CP:  1.13D+00
 E= -656.585022983201     Delta-E=       -0.000000080905 Rises=F Damp=F
 DIIS: error= 1.95D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -656.585022983201     IErMin= 7 ErrMin= 1.95D-06
 ErrMax= 1.95D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.45D-09 BMatP= 9.64D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.163D-03-0.994D-03-0.461D-02-0.204D-01 0.472D-01 0.248D+00
 Coeff-Com:  0.731D+00
 Coeff:      0.163D-03-0.994D-03-0.461D-02-0.204D-01 0.472D-01 0.248D+00
 Coeff:      0.731D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=8.27D-06 MaxDP=9.83D-04 DE=-8.09D-08 OVMax= 4.83D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.41D-06    CP:  1.72D+00  1.16D+00  1.15D+00  1.66D+00  1.19D+00
                    CP:  1.18D+00  1.30D+00
 E= -656.585022993162     Delta-E=       -0.000000009961 Rises=F Damp=F
 DIIS: error= 7.41D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -656.585022993162     IErMin= 8 ErrMin= 7.41D-07
 ErrMax= 7.41D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.53D-10 BMatP= 8.45D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.784D-04 0.204D-02-0.942D-04-0.167D-01-0.274D-01-0.231D-01
 Coeff-Com:  0.222D+00 0.844D+00
 Coeff:     -0.784D-04 0.204D-02-0.942D-04-0.167D-01-0.274D-01-0.231D-01
 Coeff:      0.222D+00 0.844D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=2.69D-06 MaxDP=3.36D-04 DE=-9.96D-09 OVMax= 1.43D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  5.91D-07    CP:  1.72D+00  1.16D+00  1.15D+00  1.66D+00  1.19D+00
                    CP:  1.21D+00  1.33D+00  1.18D+00
 E= -656.585022994270     Delta-E=       -0.000000001108 Rises=F Damp=F
 DIIS: error= 1.89D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -656.585022994270     IErMin= 9 ErrMin= 1.89D-07
 ErrMax= 1.89D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.79D-11 BMatP= 8.53D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.416D-04 0.855D-03 0.285D-03-0.507D-02-0.132D-01-0.290D-01
 Coeff-Com:  0.353D-01 0.312D+00 0.699D+00
 Coeff:     -0.416D-04 0.855D-03 0.285D-03-0.507D-02-0.132D-01-0.290D-01
 Coeff:      0.353D-01 0.312D+00 0.699D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=2.65D-07 MaxDP=1.99D-05 DE=-1.11D-09 OVMax= 4.85D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.66D-07    CP:  1.72D+00  1.16D+00  1.15D+00  1.66D+00  1.19D+00
                    CP:  1.20D+00  1.36D+00  1.20D+00  1.08D+00
 E= -656.585022994442     Delta-E=       -0.000000000172 Rises=F Damp=F
 DIIS: error= 8.25D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -656.585022994442     IErMin=10 ErrMin= 8.25D-08
 ErrMax= 8.25D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.43D-11 BMatP= 8.79D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.623D-06-0.695D-04 0.124D-03 0.133D-02 0.921D-03-0.720D-02
 Coeff-Com: -0.265D-01-0.484D-01 0.251D+00 0.829D+00
 Coeff:     -0.623D-06-0.695D-04 0.124D-03 0.133D-02 0.921D-03-0.720D-02
 Coeff:     -0.265D-01-0.484D-01 0.251D+00 0.829D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=3.00D-07 MaxDP=3.05D-05 DE=-1.72D-10 OVMax= 2.11D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.10D-07    CP:  1.72D+00  1.16D+00  1.15D+00  1.66D+00  1.19D+00
                    CP:  1.20D+00  1.35D+00  1.21D+00  1.11D+00  1.08D+00
 E= -656.585022994527     Delta-E=       -0.000000000085 Rises=F Damp=F
 DIIS: error= 2.92D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -656.585022994527     IErMin=11 ErrMin= 2.92D-08
 ErrMax= 2.92D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.60D-12 BMatP= 1.43D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.473D-05-0.128D-03 0.743D-05 0.106D-02 0.202D-02 0.487D-03
 Coeff-Com: -0.127D-01-0.544D-01 0.974D-02 0.287D+00 0.767D+00
 Coeff:      0.473D-05-0.128D-03 0.743D-05 0.106D-02 0.202D-02 0.487D-03
 Coeff:     -0.127D-01-0.544D-01 0.974D-02 0.287D+00 0.767D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=9.18D-08 MaxDP=9.86D-06 DE=-8.48D-11 OVMax= 8.04D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.27D-08    CP:  1.72D+00  1.16D+00  1.15D+00  1.66D+00  1.19D+00
                    CP:  1.20D+00  1.35D+00  1.19D+00  1.13D+00  1.15D+00
                    CP:  1.10D+00
 E= -656.585022994618     Delta-E=       -0.000000000091 Rises=F Damp=F
 DIIS: error= 1.30D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -656.585022994618     IErMin=12 ErrMin= 1.30D-08
 ErrMax= 1.30D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.06D-13 BMatP= 1.60D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.147D-05-0.279D-04-0.158D-04 0.120D-03 0.506D-03 0.109D-02
 Coeff-Com:  0.164D-03-0.968D-02-0.307D-01-0.327D-01 0.227D+00 0.844D+00
 Coeff:      0.147D-05-0.279D-04-0.158D-04 0.120D-03 0.506D-03 0.109D-02
 Coeff:      0.164D-03-0.968D-02-0.307D-01-0.327D-01 0.227D+00 0.844D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=1.84D-08 MaxDP=1.36D-06 DE=-9.14D-11 OVMax= 4.41D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  9.04D-09    CP:  1.72D+00  1.16D+00  1.15D+00  1.66D+00  1.19D+00
                    CP:  1.20D+00  1.35D+00  1.19D+00  1.12D+00  1.17D+00
                    CP:  1.18D+00  1.08D+00
 E= -656.585022994568     Delta-E=        0.000000000050 Rises=F Damp=F
 DIIS: error= 5.24D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -656.585022994618     IErMin=13 ErrMin= 5.24D-09
 ErrMax= 5.24D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.66D-14 BMatP= 2.06D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.365D-06 0.129D-04-0.403D-05-0.130D-03-0.183D-03 0.180D-03
 Coeff-Com:  0.187D-02 0.574D-02-0.772D-02-0.502D-01-0.708D-01 0.176D+00
 Coeff-Com:  0.946D+00
 Coeff:     -0.365D-06 0.129D-04-0.403D-05-0.130D-03-0.183D-03 0.180D-03
 Coeff:      0.187D-02 0.574D-02-0.772D-02-0.502D-01-0.708D-01 0.176D+00
 Coeff:      0.946D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=1.18D-08 MaxDP=1.09D-06 DE= 5.02D-11 OVMax= 2.56D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  3.97D-09    CP:  1.72D+00  1.16D+00  1.15D+00  1.66D+00  1.19D+00
                    CP:  1.20D+00  1.35D+00  1.19D+00  1.12D+00  1.17D+00
                    CP:  1.21D+00  1.16D+00  1.05D+00
 E= -656.585022994492     Delta-E=        0.000000000075 Rises=F Damp=F
 DIIS: error= 1.79D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=12 EnMin= -656.585022994618     IErMin=14 ErrMin= 1.79D-09
 ErrMax= 1.79D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.03D-15 BMatP= 2.66D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.341D-06 0.849D-05 0.788D-06-0.642D-04-0.141D-03-0.797D-04
 Coeff-Com:  0.619D-03 0.341D-02 0.193D-02-0.122D-01-0.584D-01-0.634D-01
 Coeff-Com:  0.339D+00 0.789D+00
 Coeff:     -0.341D-06 0.849D-05 0.788D-06-0.642D-04-0.141D-03-0.797D-04
 Coeff:      0.619D-03 0.341D-02 0.193D-02-0.122D-01-0.584D-01-0.634D-01
 Coeff:      0.339D+00 0.789D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=2.84D-09 MaxDP=2.03D-07 DE= 7.53D-11 OVMax= 1.06D-07

 SCF Done:  E(RwB97XD) =  -656.585022994     A.U. after   14 cycles
            NFock= 14  Conv=0.28D-08     -V/T= 2.0061
 KE= 6.526019680690D+02 PE=-3.468178668611D+03 EE= 1.188473531332D+03
 Leave Link  502 at Wed Sep  8 12:53:02 2021, MaxMem=  6442450944 cpu:           11179.2 elap:            1398.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   506
 NBasis=   507 NAE=    56 NBE=    56 NFC=     0 NFV=     0
 NROrb=    506 NOA=    56 NOB=    56 NVA=   450 NVB=   450

 **** Warning!!: The largest alpha MO coefficient is  0.97172434D+02

 Leave Link  801 at Wed Sep  8 12:53:02 2021, MaxMem=  6442450944 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        10255 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          33
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.20D-13 8.33D-09 XBig12= 1.00D+00 2.65D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.20D-13 8.33D-09 XBig12= 2.01D-01 5.94D-02.
     11 vectors produced by pass  2 Test12= 4.20D-13 8.33D-09 XBig12= 4.82D-02 6.26D-02.
     11 vectors produced by pass  3 Test12= 4.20D-13 8.33D-09 XBig12= 5.41D-03 1.39D-02.
     11 vectors produced by pass  4 Test12= 4.20D-13 8.33D-09 XBig12= 7.35D-04 4.42D-03.
     11 vectors produced by pass  5 Test12= 4.20D-13 8.33D-09 XBig12= 1.11D-04 1.38D-03.
     11 vectors produced by pass  6 Test12= 4.20D-13 8.33D-09 XBig12= 7.24D-06 2.90D-04.
     11 vectors produced by pass  7 Test12= 4.20D-13 8.33D-09 XBig12= 3.68D-07 8.15D-05.
     11 vectors produced by pass  8 Test12= 4.20D-13 8.33D-09 XBig12= 1.12D-08 1.44D-05.
     11 vectors produced by pass  9 Test12= 4.20D-13 8.33D-09 XBig12= 3.45D-10 2.70D-06.
      9 vectors produced by pass 10 Test12= 4.20D-13 8.33D-09 XBig12= 1.02D-11 3.72D-07.
      7 vectors produced by pass 11 Test12= 4.20D-13 8.33D-09 XBig12= 3.22D-13 5.21D-08.
      2 vectors produced by pass 12 Test12= 4.20D-13 8.33D-09 XBig12= 3.82D-14 1.10D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 5.68D-14
 Solved reduced A of dimension   128 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.220394D+03
      2  0.914027D+01  0.138644D+03
      3 -0.432178D+01  0.699841D+01  0.151470D+03
 Isotropic polarizability for W=    0.088559      170.17 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.267124D+03 -0.722746D+02 -0.498738D+02
      2   0.143613D+03  0.675882D+02  0.208275D+01
      3   0.123511D+03  0.468636D+01  0.477910D+02
      4  -0.562581D+01 -0.104675D+03 -0.266368D+02
      5  -0.450442D+02 -0.246240D+02 -0.799840D+02
      6  -0.573129D+01 -0.218475D+02  0.196505D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.626647D+01 -0.118386D+01 -0.652587D+01
      2  -0.412048D+02 -0.150279D+02 -0.381881D+02
      3   0.269219D+02  0.569930D+02  0.819471D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.201282D+01 -0.239303D+02 -0.149642D+02
      2  -0.482963D+01 -0.209056D+02 -0.203495D+03
      3   0.666488D+02  0.248288D+03  0.188927D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.291339D+01  0.700217D+01  0.136157D+01
      2   0.700217D+01  0.200420D+01  0.897919D+00
      3   0.136157D+01  0.897919D+00  0.342473D+00
 OR G Eigenvalues:    -7.9191     0.0525     7.2999  Iso=     0.1889
 Eigenvectors:
   (1)   0.817989  -0.570610  -0.072793
   (2)  -0.064504  -0.216734   0.974097
   (3)   0.571606   0.792105   0.214093
 w=    0.088559 a.u., Optical Rotation Beta=      0.1889 au.
 Molar Mass =    206.2840 grams/mole, [Alpha] ( 5145.0 A) =       46.44 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  128778 ScalPx= 3.27D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  128778 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.05D+04
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.00D-14 2.78D-09 XBig12= 1.00D+00 2.75D-01.
     30 vectors produced by pass  1 Test12= 7.00D-14 2.78D-09 XBig12= 2.50D-02 2.24D-02.
     30 vectors produced by pass  2 Test12= 7.00D-14 2.78D-09 XBig12= 2.30D-03 5.56D-03.
     30 vectors produced by pass  3 Test12= 7.00D-14 2.78D-09 XBig12= 6.04D-05 1.11D-03.
     30 vectors produced by pass  4 Test12= 7.00D-14 2.78D-09 XBig12= 1.58D-06 1.11D-04.
     30 vectors produced by pass  5 Test12= 7.00D-14 2.78D-09 XBig12= 2.60D-08 1.36D-05.
     30 vectors produced by pass  6 Test12= 7.00D-14 2.78D-09 XBig12= 3.76D-10 1.70D-06.
     30 vectors produced by pass  7 Test12= 7.00D-14 2.78D-09 XBig12= 3.90D-12 1.61D-07.
     28 vectors produced by pass  8 Test12= 7.00D-14 2.78D-09 XBig12= 4.01D-14 1.44D-08.
      9 vectors produced by pass  9 Test12= 7.00D-14 2.78D-09 XBig12= 6.31D-15 6.43D-09.
      3 vectors produced by pass 10 Test12= 7.00D-14 2.78D-09 XBig12= 5.96D-15 4.32D-09.
      2 vectors produced by pass 11 Test12= 7.00D-14 2.78D-09 XBig12= 2.90D-15 3.51D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   282 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  128778 ScalPx= 1.35D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  128778 ScalPx= 1.35D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  128778 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 8.88D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.220394D+03  0.914027D+01 -0.432178D+01
      2   0.914027D+01  0.138644D+03  0.699841D+01
      3  -0.432178D+01  0.699841D+01  0.151470D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.626647D+01 -0.118386D+01 -0.652587D+01
      2  -0.412048D+02 -0.150279D+02 -0.381881D+02
      3   0.269219D+02  0.569930D+02  0.819471D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.267124D+03 -0.722746D+02 -0.498738D+02
      2   0.143613D+03  0.675882D+02  0.208275D+01
      3   0.123511D+03  0.468636D+01  0.477910D+02
      4  -0.562581D+01 -0.104675D+03 -0.266368D+02
      5  -0.450442D+02 -0.246240D+02 -0.799840D+02
      6  -0.573129D+01 -0.218475D+02  0.196505D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.937886D+01  0.220318D+01 -0.695687D+00 -0.323844D+00 -0.658935D-01
      2   0.220318D+01 -0.218585D+00  0.320731D+00 -0.658935D-01 -0.383850D+01
      3  -0.695687D+00  0.320731D+00 -0.208458D+01  0.151986D+01 -0.164334D+01
                 6             7             8             9            10 
      1   0.151986D+01 -0.118609D+02 -0.108917D+01  0.126074D+00 -0.292272D+02
      2  -0.164334D+01 -0.108917D+01 -0.206961D+00  0.112503D+01 -0.305349D+01
      3   0.890172D+00  0.126074D+00  0.112503D+01 -0.193421D+01 -0.382386D+00
                11            12            13            14            15 
      1  -0.305349D+01 -0.382386D+00 -0.669530D+01 -0.500183D+01  0.136556D+01
      2  -0.183390D+01 -0.713479D+00 -0.500183D+01 -0.294524D+01  0.412342D+00
      3  -0.713479D+00 -0.284763D+01  0.136556D+01  0.412342D+00 -0.810153D+00
                16            17            18            19            20 
      1  -0.107540D+01  0.157947D+01 -0.104600D+01 -0.757889D+01 -0.249717D+01
      2   0.157947D+01  0.744464D+00 -0.199275D-02 -0.249717D+01  0.220106D+01
      3  -0.104600D+01 -0.199275D-02  0.161148D+01  0.172353D+00  0.149492D+01
                21            22            23            24            25 
      1   0.172353D+00 -0.798569D+01  0.234190D-01  0.709044D+00 -0.109981D+02
      2   0.149492D+01  0.234190D-01 -0.141416D+01 -0.166515D+01 -0.257678D+01
      3   0.162471D+01  0.709044D+00 -0.166515D+01  0.196039D+01  0.415733D+00
                26            27            28            29            30 
      1  -0.257678D+01  0.415733D+00  0.262212D+02  0.415718D+01 -0.134033D+01
      2  -0.122917D+01  0.124017D+01  0.415718D+01  0.241209D+01  0.147072D+00
      3   0.124017D+01 -0.252262D+01 -0.134033D+01  0.147072D+00  0.255539D+01
                31            32            33            34            35 
      1   0.389465D+01  0.545864D+01 -0.153986D+01 -0.659083D+00 -0.111999D+01
      2   0.545864D+01  0.220099D+01 -0.725522D+00 -0.111999D+01 -0.172229D+01
      3  -0.153986D+01 -0.725522D+00  0.165400D+01  0.922874D+00  0.209727D+00
                36            37            38            39            40 
      1   0.922874D+00 -0.116102D+02 -0.271325D+01  0.117136D+01 -0.495817D+00
      2   0.209727D+00 -0.271325D+01  0.240416D-01 -0.400249D+00  0.688779D+00
      3   0.803718D+00  0.117136D+01 -0.400249D+00  0.385582D+01 -0.165514D+01
                41            42            43            44            45 
      1   0.688779D+00 -0.165514D+01  0.132166D+02  0.922912D+00 -0.130532D+01
      2   0.398103D+01  0.203114D+01  0.922912D+00  0.848583D+00 -0.127538D+01
      3   0.203114D+01 -0.847076D+00 -0.130532D+01 -0.127538D+01  0.155325D+01
                46            47            48            49            50 
      1   0.978834D+01  0.248793D+01 -0.507839D+00  0.102438D+02 -0.540947D+00
      2   0.248793D+01 -0.194669D+01 -0.146963D+01 -0.540947D+00  0.114090D+01
      3  -0.507839D+00 -0.146963D+01 -0.270624D+01 -0.399660D+00  0.211061D+01
                51            52            53            54            55 
      1  -0.399660D+00  0.107320D+02  0.230273D+01  0.905466D+00  0.160319D+02
      2   0.211061D+01  0.230273D+01  0.137648D+01 -0.130216D+01 -0.733112D+00
      3  -0.325680D+01  0.905466D+00 -0.130216D+01  0.176803D+01  0.122494D+01
                56            57            58            59            60 
      1  -0.733112D+00  0.122494D+01 -0.428911D+01  0.434255D+01 -0.127771D+01
      2   0.143825D+01 -0.621147D+00  0.434255D+01  0.555380D+01  0.176551D+01
      3  -0.621147D+00  0.208825D+01 -0.127771D+01  0.176551D+01  0.187437D-01
                61            62            63            64            65 
      1   0.733349D+01 -0.880443D+00  0.395703D+01 -0.304444D+01  0.443359D+01
      2  -0.880443D+00  0.275873D+01  0.101614D+01  0.443359D+01 -0.786850D+00
      3   0.395703D+01  0.101614D+01 -0.450210D+01  0.166586D+00  0.131220D+01
                66            67            68            69            70 
      1   0.166586D+00  0.123697D+02 -0.167193D+01  0.230606D+01 -0.568186D+01
      2   0.131220D+01 -0.167193D+01 -0.456800D+01 -0.195524D+01  0.126105D+01
      3  -0.326624D+01  0.230606D+01 -0.195524D+01  0.362894D+00 -0.494295D+01
                71            72            73            74            75 
      1   0.126105D+01 -0.494295D+01 -0.342201D+01 -0.464278D+01  0.682609D+00
      2  -0.271940D+01  0.653980D-01 -0.464278D+01  0.977717D+00 -0.133782D+01
      3   0.653980D-01  0.589488D+01  0.682609D+00 -0.133782D+01  0.293314D+01
                76            77            78            79            80 
      1  -0.585585D+01  0.115390D+01 -0.171726D+01  0.160586D+01 -0.162764D+01
      2   0.115390D+01  0.227897D+01  0.258476D+01 -0.162764D+01  0.354179D+01
      3  -0.171726D+01  0.258476D+01 -0.949325D+00  0.399133D+01 -0.166343D+01
                81            82            83            84            85 
      1   0.399133D+01 -0.315057D+01 -0.416664D+01 -0.965944D-01 -0.655834D+01
      2  -0.166343D+01 -0.416664D+01  0.547769D+00 -0.173949D+01  0.204100D+01
      3  -0.435730D+01 -0.965944D-01 -0.173949D+01  0.346412D+01 -0.218744D+01
                86            87            88            89            90 
      1   0.204100D+01 -0.218744D+01  0.109138D+01 -0.183724D+01  0.512360D+01
      2   0.484778D+01  0.341281D+01 -0.183724D+01  0.338397D+01  0.299173D+00
      3   0.341281D+01 -0.251479D+00  0.512360D+01  0.299173D+00 -0.324291D+01
                91            92            93            94            95 
      1  -0.363466D+01  0.431845D+00 -0.655713D+00  0.359297D+01 -0.576005D+01
      2   0.431845D+00 -0.249863D+01  0.510803D+00 -0.576005D+01 -0.704659D+00
      3  -0.655713D+00  0.510803D+00 -0.124074D+01  0.115635D+01  0.131611D+01
                96            97            98            99           100 
      1   0.115635D+01  0.219232D+01  0.169241D+01 -0.219413D+01 -0.185358D+01
      2   0.131611D+01  0.169241D+01  0.311342D+01 -0.338277D+01 -0.293682D+00
      3  -0.278076D+01 -0.219413D+01 -0.338277D+01 -0.283313D+01  0.197276D+01
               101           102           103           104           105 
      1  -0.293682D+00  0.197276D+01 -0.471037D+00  0.206941D+01 -0.513202D+00
      2   0.162622D+01 -0.222799D-01  0.206941D+01 -0.237077D+01 -0.205454D+00
      3  -0.222799D-01 -0.100703D+01 -0.513202D+00 -0.205454D+00  0.190398D+01
               106           107           108           109           110 
      1   0.407579D+01 -0.174265D+01 -0.244536D+01  0.493405D+01 -0.124147D+01
      2  -0.174265D+01  0.698927D+00  0.252522D+01 -0.124147D+01  0.517052D+00
      3  -0.244536D+01  0.252522D+01  0.324397D+01 -0.381694D+01  0.292691D+00
               111           112           113           114           115 
      1  -0.381694D+01 -0.279224D+01  0.152630D+01  0.875388D+00 -0.902883D+01
      2   0.292691D+00  0.152630D+01 -0.155851D+01 -0.210857D+01  0.177873D+01
      3   0.227628D+01  0.875388D+00 -0.210857D+01 -0.186698D+01  0.414600D+01
               116           117           118           119           120 
      1   0.177873D+01  0.414600D+01 -0.670424D+00  0.169689D+01  0.137066D+01
      2  -0.310533D+01 -0.157022D+01  0.169689D+01 -0.301571D+01  0.220324D+00
      3  -0.157022D+01 -0.859845D+01  0.137066D+01  0.220324D+00  0.124108D+00
               121           122           123           124           125 
      1   0.205400D+01 -0.312266D+01  0.270224D+00  0.489202D+01 -0.124761D+01
      2  -0.312266D+01  0.345878D+01  0.104250D+01 -0.124761D+01  0.220088D+01
      3   0.270224D+00  0.104250D+01 -0.187212D+00  0.192113D+01 -0.203123D+01
               126           127           128           129           130 
      1   0.192113D+01 -0.201171D+01 -0.115550D+01 -0.160157D+01 -0.164499D+01
      2  -0.203123D+01 -0.115550D+01 -0.100881D+01 -0.108320D+01 -0.910814D+00
      3   0.451910D+01 -0.160157D+01 -0.108320D+01 -0.140878D+01 -0.156554D+01
               131           132           133           134           135 
      1  -0.910814D+00 -0.156554D+01 -0.183775D+01 -0.117278D+01 -0.203635D+01
      2  -0.142632D+01 -0.161732D+01 -0.117278D+01 -0.224165D+01 -0.275403D+01
      3  -0.161732D+01 -0.275174D+01 -0.203635D+01 -0.275403D+01 -0.523751D+01
               136           137           138           139           140 
      1   0.309510D+01 -0.185445D+00 -0.197992D+01 -0.487356D+00  0.177512D+00
      2  -0.185445D+00  0.399261D+00  0.210081D+00  0.177512D+00 -0.468890D+00
      3  -0.197992D+01  0.210081D+00  0.201642D+01  0.553389D+00 -0.496192D+00
               141           142           143           144           145 
      1   0.553389D+00 -0.276917D+01  0.734681D+00  0.279110D+01  0.202934D+01
      2  -0.496192D+00  0.734681D+00 -0.977550D+00 -0.116468D+01  0.126660D+01
      3  -0.153400D+01  0.279110D+01 -0.116468D+01 -0.500402D+01  0.179222D+01
               146           147           148           149           150 
      1   0.126660D+01  0.179222D+01  0.125824D+01  0.791295D+00  0.152597D+01
      2   0.994981D+00  0.113705D+01  0.791295D+00  0.102735D+01  0.147605D+01
      3   0.113705D+01  0.181746D+01  0.152597D+01  0.147605D+01  0.298607D+01
               151           152           153           154           155 
      1   0.177079D+01  0.116648D+01  0.224143D+01 -0.305663D+01  0.302304D+00
      2   0.116648D+01  0.207408D+01  0.272119D+01  0.302304D+00 -0.274520D+00
      3   0.224143D+01  0.272119D+01  0.618766D+01  0.256179D+01 -0.213790D+00
               156           157           158           159           160 
      1   0.256179D+01  0.229613D+00 -0.194670D+00 -0.445244D+00  0.293936D+01
      2  -0.213790D+00 -0.194670D+00  0.272328D+00  0.439375D+00 -0.696445D+00
      3  -0.296389D+01 -0.445244D+00  0.439375D+00  0.162457D+01 -0.327941D+01
               161           162           163           164           165 
      1  -0.696445D+00 -0.327941D+01 -0.227822D+01 -0.786670D-01  0.158974D+01
      2   0.888524D+00  0.113453D+01 -0.786670D-01 -0.698917D+00  0.604077D+00
      3   0.113453D+01  0.647224D+01  0.158974D+01  0.604077D+00 -0.174357D+01
               166           167           168           169           170 
      1   0.175071D+01 -0.675143D+00  0.224440D+00  0.373259D+01  0.796162D+00
      2  -0.675143D+00 -0.860942D+00  0.665770D+00  0.796162D+00  0.121761D+01
      3   0.224440D+00  0.665770D+00 -0.923070D-01 -0.222927D+01 -0.147600D+01
               171           172           173           174           175 
      1  -0.222927D+01 -0.182206D+01 -0.125816D+01 -0.602049D+00 -0.344893D+01
      2  -0.147600D+01 -0.125816D+01 -0.975324D+00  0.264090D-01 -0.273169D+01
      3   0.568505D+01 -0.602049D+00  0.264090D-01 -0.245829D+00 -0.316546D+00
               176           177           178           179           180 
      1  -0.273169D+01 -0.316546D+00 -0.446079D+01 -0.878997D+00 -0.112621D+01
      2  -0.831828D+01 -0.985257D+00 -0.878997D+00 -0.238226D+01 -0.124402D+01
      3  -0.985257D+00 -0.856813D+00 -0.112621D+01 -0.124402D+01 -0.419298D+00
               181           182           183           184           185 
      1   0.196293D+01 -0.743406D+00 -0.124774D+01 -0.152946D+01  0.228151D+00
      2  -0.743406D+00  0.464256D+00 -0.257914D+00  0.228151D+00  0.577699D+00
      3  -0.124774D+01 -0.257914D+00  0.147651D+01 -0.200271D+00 -0.629813D+00
               186           187           188           189           190 
      1  -0.200271D+00 -0.219086D+01 -0.227107D+00  0.101125D+01 -0.134922D+01
      2  -0.629813D+00 -0.227107D+00 -0.101160D+01  0.212287D-01  0.920997D+00
      3   0.127393D+00  0.101125D+01  0.212287D-01 -0.668087D+01  0.134418D+01
               191           192           193           194           195 
      1   0.920997D+00  0.134418D+01  0.414655D+00 -0.490352D+00  0.325278D-01
      2  -0.905713D+00 -0.300554D+00 -0.490352D+00  0.350025D+00  0.552786D+00
      3  -0.300554D+00 -0.190824D+01  0.325278D-01  0.552786D+00  0.254524D+00
               196           197           198           199           200 
      1   0.244536D+01 -0.647800D+00 -0.226779D+01 -0.392045D+01  0.315183D+01
      2  -0.647800D+00  0.171360D+01  0.150338D+01  0.315183D+01 -0.300458D+01
      3  -0.226779D+01  0.150338D+01  0.604109D+01 -0.146329D+01  0.106694D+01
               201           202           203           204           205 
      1  -0.146329D+01  0.289123D+01 -0.298409D+01  0.120281D+01 -0.280511D+01
      2   0.106694D+01 -0.298409D+01  0.428102D+01 -0.180748D+01  0.195617D+01
      3  -0.145612D+01  0.120281D+01 -0.180748D+01  0.132281D+01 -0.196500D+01
               206           207           208           209           210 
      1   0.195617D+01 -0.196500D+01  0.787969D+01  0.161536D+01  0.225393D+00
      2  -0.306941D+01  0.181659D+01  0.161536D+01  0.272712D+01  0.140662D+00
      3   0.181659D+01 -0.163990D+01  0.225393D+00  0.140662D+00  0.481165D+00
               211           212           213           214           215 
      1   0.159241D+01  0.158509D+01  0.115474D+00  0.402151D+00  0.100174D-01
      2   0.158509D+01  0.194708D+01 -0.147587D+00  0.100174D-01 -0.359368D+00
      3   0.115474D+00 -0.147587D+00  0.570920D+00  0.894134D-01  0.650328D+00
               216           217           218           219           220 
      1   0.894134D-01 -0.289659D+01 -0.894309D-01  0.171460D+01  0.393851D+00
      2   0.650328D+00 -0.894309D-01 -0.584849D+00  0.371337D+00 -0.919278D+00
      3   0.374228D+00  0.171460D+01  0.371337D+00 -0.196733D+01  0.291146D+00
               221           222           223           224           225 
      1  -0.919278D+00  0.291146D+00  0.467521D+01  0.945579D+00 -0.325783D+01
      2  -0.752369D+00  0.389402D+00  0.945579D+00  0.115830D+01 -0.641806D+00
      3   0.389402D+00 -0.189047D+00 -0.325783D+01 -0.641806D+00  0.520006D+01
               226           227           228           229           230 
      1  -0.159512D+00 -0.701569D+00 -0.357927D+00 -0.251301D+01 -0.251466D+01
      2  -0.701569D+00 -0.392365D+00 -0.472306D-01 -0.251466D+01 -0.762579D+01
      3  -0.357927D+00 -0.472306D-01 -0.393426D+00 -0.736250D+00 -0.245624D+01
               231           232           233           234           235 
      1  -0.736250D+00 -0.124737D+01 -0.647505D+00 -0.128154D+01 -0.628915D+01
      2  -0.245624D+01 -0.647505D+00 -0.263129D+01 -0.164549D+01  0.187479D+01
      3  -0.182848D+01 -0.128154D+01 -0.164549D+01 -0.131236D+01 -0.252299D+01
               236           237           238           239           240 
      1   0.187479D+01 -0.252299D+01  0.517780D+01 -0.202221D+01  0.188166D+01
      2  -0.128654D+01  0.921507D+00 -0.202221D+01  0.158183D+01 -0.140862D+01
      3   0.921507D+00 -0.204967D+01  0.188166D+01 -0.140862D+01  0.161349D+01
               241           242           243           244           245 
      1  -0.446646D+01  0.108589D+01 -0.321910D+01 -0.158220D+00  0.279720D+00
      2   0.108589D+01 -0.157195D+01  0.924230D+00  0.279720D+00  0.688771D+00
      3  -0.321910D+01  0.924230D+00 -0.241819D+01  0.166067D+01  0.330649D+00
               246           247           248           249           250 
      1   0.166067D+01  0.503847D+00  0.127177D+01  0.487271D+00  0.296226D+01
      2   0.330649D+00  0.127177D+01  0.171201D+01  0.114108D+01  0.698841D+00
      3   0.999467D+00  0.487271D+00  0.114108D+01  0.171923D+01  0.167472D+01
               251           252           253           254           255 
      1   0.698841D+00  0.167472D+01 -0.781357D+01 -0.539219D+01  0.792003D+00
      2   0.168411D+01  0.166117D+01 -0.539219D+01  0.185593D+01  0.348424D+00
      3   0.166117D+01  0.504897D+01  0.792003D+00  0.348424D+00  0.972981D+00
               256           257           258           259           260 
      1  -0.188137D+01  0.343940D+01 -0.649123D+00 -0.319339D+01 -0.115022D+01
      2   0.343940D+01 -0.289793D+00 -0.211591D+01 -0.115022D+01 -0.356075D+01
      3  -0.649123D+00 -0.211591D+01  0.296209D+01  0.229500D+01  0.284322D+01
               261           262           263           264           265 
      1   0.229500D+01  0.390693D+01 -0.309942D+01  0.966011D+00 -0.401412D+01
      2   0.284322D+01 -0.309942D+01  0.316168D+01 -0.668233D+00  0.441098D+01
      3   0.245972D+01  0.966011D+00 -0.668233D+00  0.906160D+00 -0.909604D+00
               266           267           268           269           270 
      1   0.441098D+01 -0.909604D+00 -0.950947D+00  0.956033D+00  0.435276D+00
      2  -0.626489D+01  0.117229D+01  0.956033D+00 -0.106838D+01 -0.459813D+00
      3   0.117229D+01 -0.136591D+01  0.435276D+00 -0.459813D+00  0.386815D+00
               271           272           273           274           275 
      1  -0.142917D+01  0.196379D+01  0.111203D+00  0.196672D+01 -0.148193D+01
      2   0.196379D+01 -0.348760D+01  0.264026D+00 -0.148193D+01  0.646253D+01
      3   0.111203D+00  0.264026D+00 -0.791945D+00 -0.691550D-01 -0.306324D-01
               276           277           278           279           280 
      1  -0.691550D-01  0.809820D+00 -0.120059D-01 -0.455110D+00  0.249317D+00
      2  -0.306324D-01 -0.120059D-01  0.147795D+01  0.456585D+00  0.183880D+00
      3   0.703289D+00 -0.455110D+00  0.456585D+00  0.401288D-02 -0.714399D+00
               281           282           283           284           285 
      1   0.183880D+00 -0.714399D+00 -0.687926D+00 -0.571550D+00  0.120778D+00
      2  -0.540691D+00  0.119670D+00 -0.571550D+00 -0.665896D+00 -0.214249D+00
      3   0.119670D+00 -0.802117D+00  0.120778D+00 -0.214249D+00 -0.128444D+01
               286           287           288           289           290 
      1  -0.166599D+01 -0.343993D+00  0.359319D-01  0.118989D+02  0.507550D+01
      2  -0.343993D+00 -0.141681D+01  0.537700D-01  0.507550D+01  0.342408D+01
      3   0.359319D-01  0.537700D-01 -0.606803D+01 -0.153372D+01 -0.964557D+00
               291           292           293           294           295 
      1  -0.153372D+01  0.334014D+01  0.245150D+01 -0.455973D+00  0.149606D-01
      2  -0.964557D+00  0.245150D+01  0.239890D+01 -0.299954D+00  0.112360D-01
      3   0.129139D+01 -0.455973D+00 -0.299954D+00  0.177950D+00  0.968013D+00
               296           297 
      1   0.112360D-01  0.968013D+00
      2   0.392754D+00  0.345933D+00
      3   0.345933D+00 -0.483360D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.211348D+01  0.614194D+00 -0.282342D+01  0.558270D+01  0.109877D+01
      2  -0.147261D+02  0.216227D+01  0.850506D+01  0.418596D+01 -0.546148D+00
      3  -0.293263D+01 -0.343487D+01 -0.389372D+01  0.126737D+02 -0.210980D+00
                 6             7             8             9            10 
      1  -0.278172D+01 -0.493685D+01  0.249705D+01  0.656973D+00 -0.518999D+01
      2  -0.858446D+00  0.431923D+01 -0.146922D+01 -0.469217D+01  0.181077D+02
      3  -0.353341D+01 -0.189635D+01  0.906786D+00  0.482564D+01  0.196674D+01
                11            12            13            14            15 
      1   0.518441D+00  0.174894D+01  0.895187D+00 -0.518311D+01 -0.760304D+01
      2   0.150315D+01 -0.300334D+01 -0.640633D+00  0.173365D+01 -0.182602D+01
      3   0.150233D+01  0.858671D+00  0.122803D+02 -0.402450D+00 -0.102840D+01
                16            17            18            19            20 
      1   0.868778D+01 -0.221611D+00  0.417420D+01 -0.100847D+01 -0.986761D+00
      2  -0.228824D+02 -0.177941D+01  0.342833D+01  0.100292D+02  0.277833D+01
      3   0.618205D+01 -0.164741D+01 -0.362548D+01 -0.495493D+01 -0.127312D+01
                21            22            23            24            25 
      1   0.879741D+00 -0.719042D+01 -0.378255D+01 -0.222615D+01  0.993628D+00
      2   0.502185D+01  0.808399D+01  0.387855D+01  0.188657D+01  0.316718D+01
      3  -0.436807D+00  0.108511D+02  0.302723D+01  0.236859D+01 -0.566577D+01
                26            27            28            29            30 
      1   0.263671D+01 -0.194798D+01  0.253422D+01  0.269857D+01  0.408071D+01
      2   0.190020D+01  0.182414D+01 -0.150780D+02 -0.386466D+01 -0.103815D+01
      3  -0.368345D+00 -0.207720D+01 -0.340363D+01 -0.382038D+00  0.166675D+01
                31            32            33            34            35 
      1   0.639380D+01 -0.182532D+01 -0.806547D+01  0.667347D+01 -0.212232D+00
      2  -0.671805D+01 -0.540354D+01 -0.194433D+01 -0.237773D+02 -0.264309D+01
      3   0.987235D+01  0.435243D+01 -0.198433D+00  0.334596D+01  0.269816D+01
                36            37            38            39            40 
      1   0.393989D+01 -0.371599D+01  0.647744D-01 -0.109489D+01  0.411877D+01
      2   0.253660D+01  0.609453D+01  0.504237D+01  0.460464D+01  0.450361D+01
      3  -0.321144D+01 -0.161969D+01 -0.255942D+01 -0.344862D+01  0.990330D+01
                41            42            43            44            45 
      1   0.412798D+01 -0.729939D+00 -0.595357D+00  0.288105D+01  0.919607D-01
      2   0.887932D+00 -0.189014D+00 -0.129684D+02 -0.305295D+01 -0.318565D+00
      3  -0.860990D+00 -0.401313D+01  0.121738D+01 -0.142997D+01  0.355918D+01
                46            47            48            49            50 
      1   0.473018D+01 -0.228089D+01 -0.952051D+00 -0.645093D+01 -0.913737D+00
      2  -0.745638D+01 -0.218850D+01  0.392607D+01 -0.486508D+01  0.437715D+00
      3  -0.453480D+01 -0.132462D+01 -0.362434D+00  0.927312D+01  0.255916D+01
                51            52            53            54            55 
      1  -0.203916D+01  0.450201D+01  0.380488D+01 -0.667367D+00  0.449731D+01
      2   0.265497D+01 -0.103451D+02 -0.120318D+01 -0.163616D+00 -0.868612D+01
      3   0.354956D+01 -0.651776D+01  0.765321D+00 -0.176786D+01 -0.118772D+02
                56            57            58            59            60 
      1  -0.141538D+01  0.128175D+01 -0.342553D+01  0.651818D+01 -0.134464D+01
      2   0.162337D+01 -0.337295D+01  0.427120D+01 -0.999957D+01 -0.249359D+00
      3   0.298505D+01 -0.261600D+01  0.253679D+02  0.142106D+02  0.759217D+01
                61            62            63            64            65 
      1   0.476934D+01  0.359285D+01 -0.568590D+01 -0.478815D+01  0.516446D+00
      2  -0.251259D+02 -0.316336D+01  0.163562D+02  0.438997D+01 -0.388112D+01
      3  -0.856988D+01  0.931729D+01 -0.189521D+01  0.245826D+02 -0.750347D+01
                66            67            68            69            70 
      1  -0.326710D+00  0.454651D+00  0.135329D+01 -0.142608D+01 -0.416742D+01
      2   0.170377D+02 -0.104247D+02  0.971887D+01  0.543367D+00  0.189209D+02
      3   0.591711D+01 -0.745425D+01 -0.175503D+02 -0.860029D+01  0.110253D+02
                71            72            73            74            75 
      1   0.505631D+01 -0.403615D+00 -0.321699D+00  0.295762D+01 -0.581527D+01
      2  -0.498056D+00 -0.294141D+02 -0.169982D+01  0.708412D+01 -0.101256D+02
      3  -0.106491D+02  0.232415D+01 -0.281218D+02 -0.810321D+01 -0.510477D+01
                76            77            78            79            80 
      1   0.360476D+01 -0.724317D+01  0.575769D+00 -0.771918D+01  0.602277D+01
      2   0.897204D+01 -0.102554D+02  0.433417D+01 -0.182636D+02  0.701963D+01
      3  -0.290087D+01  0.994461D+01  0.752671D+01 -0.631494D+01  0.105944D+02
                81            82            83            84            85 
      1   0.818795D+01  0.239255D+01 -0.120553D+01  0.350184D+01 -0.239592D+01
      2   0.175512D+02 -0.220556D+01  0.733562D+01 -0.182915D+02  0.935140D+01
      3  -0.149837D+01 -0.210545D+02  0.475076D+01 -0.965419D+01  0.207821D+02
                86            87            88            89            90 
      1  -0.101461D+00 -0.325566D+01  0.527224D+01  0.670922D-01 -0.191401D+01
      2  -0.192044D+02 -0.120836D+01 -0.331495D+02 -0.352664D+01  0.205236D+02
      3   0.275171D+02  0.215344D+02 -0.103609D+02  0.201901D+02 -0.218628D+01
                91            92            93            94            95 
      1  -0.180802D+01 -0.603977D+00  0.220876D+01  0.110931D+01 -0.627088D+00
      2   0.313882D+00  0.145152D+01  0.418303D+00  0.206169D+01  0.620803D+01
      3  -0.110834D+02  0.283358D+01 -0.128161D+01  0.313320D+02 -0.152069D+01
                96            97            98            99           100 
      1  -0.793033D+00  0.514287D+01  0.756081D+01  0.223969D+01  0.217251D+01
      2  -0.102238D+02 -0.151510D+02 -0.118478D+02 -0.100291D+02  0.191996D+01
      3  -0.448660D+01 -0.193959D+01 -0.746304D+01  0.872682D+01  0.231086D+02
               101           102           103           104           105 
      1   0.308388D+01 -0.603533D+01 -0.735391D+00  0.105140D+01 -0.366487D+01
      2  -0.586864D+00  0.777288D-01 -0.233111D+00 -0.182567D+01  0.157816D+02
      3  -0.110161D+02  0.180753D+01 -0.157596D+01 -0.469965D+01 -0.650593D+00
               106           107           108           109           110 
      1  -0.414755D+01 -0.481790D+01  0.143055D+01 -0.174934D+01 -0.329968D+01
      2  -0.826250D+01  0.103335D+02  0.167813D+02 -0.107144D+02  0.817647D+00
      3   0.814813D+01 -0.623715D+01 -0.866355D+01 -0.210570D+01 -0.439516D+01
               111           112           113           114           115 
      1   0.293234D+01 -0.901452D+00  0.109382D+01 -0.299583D+01  0.438250D+00
      2   0.109463D+02 -0.543643D+00 -0.800204D+01 -0.104039D+02  0.676847D+01
      3  -0.457944D+00 -0.528662D+01  0.993594D+01  0.863280D+01 -0.926452D+01
               116           117           118           119           120 
      1   0.781822D+01 -0.596084D+01  0.294954D+01 -0.117705D+01  0.705689D+00
      2  -0.520703D+01 -0.362459D+02  0.595164D+01 -0.699901D+00  0.238288D+01
      3   0.139137D+02  0.701543D+01 -0.821770D+01  0.822151D+01 -0.248466D+01
               121           122           123           124           125 
      1  -0.185708D+01  0.272199D+01 -0.202106D+01 -0.260509D+01  0.673348D+01
      2   0.168617D+01  0.678461D+01 -0.261624D+01  0.655596D+00 -0.553543D+01
      3   0.103886D+02 -0.898848D+01 -0.434347D+01  0.378060D+01 -0.888924D+01
               126           127           128           129           130 
      1   0.500094D+01 -0.425131D+00  0.127814D+01 -0.418522D+00 -0.775110D+00
      2   0.185629D+02 -0.396848D+01 -0.604559D+00 -0.355509D+00 -0.189347D+01
      3   0.661892D+01  0.226580D+01 -0.226869D+00  0.603080D+00  0.316269D+01
               131           132           133           134           135 
      1   0.382260D+00 -0.326828D+01 -0.936472D+00  0.227483D+01 -0.248201D+01
      2   0.176619D+00  0.557822D+00 -0.320273D+01  0.466006D+00  0.211137D+01
      3  -0.920469D+00  0.195041D+00  0.182431D+01 -0.170138D+01 -0.323661D+00
               136           137           138           139           140 
      1  -0.128194D+01 -0.166652D+01  0.178823D+01 -0.160060D+00  0.212485D+00
      2   0.567319D+01 -0.159392D+00 -0.610765D+00  0.782920D+00  0.692346D-01
      3  -0.269980D+01 -0.998430D+00  0.119574D+01  0.819561D+00  0.653962D+00
               141           142           143           144           145 
      1  -0.156796D+01  0.739867D+00  0.301548D+01 -0.106708D+01  0.141532D+01
      2  -0.954309D+00 -0.483207D+01  0.181747D+00 -0.122882D+01 -0.455792D+01
      3  -0.185545D+00  0.163488D+01  0.164977D+01 -0.955768D+00  0.773166D+00
               146           147           148           149           150 
      1   0.242283D+01  0.597364D+00  0.261894D+00  0.131595D+01 -0.163452D+01
      2  -0.147062D+01 -0.929555D+00 -0.274027D+01 -0.702214D+00 -0.429573D+00
      3  -0.806537D+00  0.345466D-01  0.195560D+01 -0.619320D+00 -0.129749D+00
               151           152           153           154           155 
      1   0.648633D+00  0.431044D+01  0.267879D+00  0.202603D+00 -0.201196D+01
      2  -0.396163D+01 -0.441945D+00  0.756327D+00  0.593327D+01 -0.477757D+00
      3   0.721343D+00 -0.216996D+01 -0.874921D+00 -0.107446D+01 -0.127090D+01
               156           157           158           159           160 
      1   0.651947D+00  0.181562D+00  0.536648D+00 -0.110195D+01 -0.126985D+01
      2  -0.822309D+00  0.393227D+00  0.202369D-02 -0.107947D+01 -0.520036D+01
      3   0.494393D+00  0.147422D+01  0.449583D+00  0.159751D+00  0.219184D-01
               161           162           163           164           165 
      1   0.390979D+01  0.127582D+01  0.178579D+01 -0.357040D+00 -0.191683D+01
      2   0.387526D+00 -0.107740D+01 -0.441086D+01 -0.196509D+01  0.666018D+01
      3   0.190580D+01 -0.373645D+00  0.267928D+01 -0.325266D+01  0.775532D-01
               166           167           168           169           170 
      1   0.683823D+00  0.163178D+00 -0.102415D+01 -0.203723D+01  0.156662D+01
      2  -0.190829D+01 -0.128037D+01 -0.115716D+00  0.126019D+01  0.399213D+01
      3  -0.136313D+01 -0.190499D+01  0.133897D+01 -0.162485D+01  0.369477D+01
               171           172           173           174           175 
      1   0.696565D+01 -0.117332D+01 -0.256310D+00 -0.989254D+00 -0.143254D+01
      2  -0.177492D+02  0.384767D+01  0.696102D+00  0.254330D+01  0.264764D+01
      3  -0.112820D+01 -0.154701D+01 -0.286023D+01  0.378463D+00 -0.174354D+01
               176           177           178           179           180 
      1  -0.464869D+01 -0.417298D+01 -0.188440D+01 -0.169740D+01 -0.133863D+01
      2   0.614283D+01  0.348378D+01  0.400387D+01  0.447975D+01  0.118741D+01
      3  -0.229469D+02 -0.222687D+01  0.174053D+01 -0.710685D+01 -0.224650D+01
               181           182           183           184           185 
      1   0.156056D+01 -0.123096D+01  0.586848D-01 -0.341089D+00 -0.604571D+00
      2   0.986174D+01  0.340424D+00 -0.682915D+01 -0.395405D+00  0.294636D+01
      3  -0.319047D+01  0.119328D+01 -0.683793D+00  0.324095D+01  0.232993D+01
               186           187           188           189           190 
      1  -0.740603D+00 -0.317888D+00  0.318603D+01  0.356502D+00 -0.256117D+01
      2  -0.337811D+00 -0.105160D+02 -0.110729D+00  0.281085D+02 -0.480487D+01
      3  -0.236991D+01 -0.728645D+00 -0.327098D+01  0.191869D+00  0.232415D+01
               191           192           193           194           195 
      1  -0.304784D+00  0.384476D+01  0.106295D+00 -0.967057D+00 -0.174317D+01
      2   0.115624D+01  0.814510D+01 -0.219047D+00 -0.184849D+01 -0.633340D+00
      3  -0.342098D+01  0.540499D+00  0.799128D-01  0.434473D+00  0.177497D+01
               196           197           198           199           200 
      1   0.407369D+01  0.574447D+00 -0.118758D+02  0.267730D+01 -0.151037D+01
      2   0.487321D+01 -0.563788D+01 -0.243388D+02  0.587292D+01 -0.463953D+01
      3   0.173648D+01  0.716614D+01  0.304296D+01  0.604095D+01 -0.944782D+01
               201           202           203           204           205 
      1   0.432782D+01 -0.300260D+01  0.282175D+01 -0.434100D+01  0.380673D+01
      2   0.776810D+01 -0.471419D+01  0.762186D+01 -0.668394D+01  0.685621D+01
      3   0.198730D+01 -0.418727D+01  0.136416D+02 -0.496410D+01  0.267655D+01
               206           207           208           209           210 
      1  -0.155693D+01  0.372778D+01 -0.185046D+01 -0.217237D+00 -0.216058D+01
      2  -0.748317D+01  0.717627D+01 -0.266899D+01 -0.790473D+00 -0.722598D+00
      3  -0.104770D+02  0.442651D+01  0.259359D+02  0.121226D+02  0.129419D+01
               211           212           213           214           215 
      1  -0.571068D+00  0.360618D+00 -0.191199D+01 -0.161009D+01  0.200702D+00
      2  -0.932538D+00  0.297968D+00 -0.950768D+00 -0.345404D+01 -0.201001D+01
      3   0.123245D+02  0.925939D+01 -0.269205D+00  0.158947D+01 -0.120334D+01
               216           217           218           219           220 
      1  -0.111881D+01  0.133757D+01 -0.120189D+00 -0.186572D+01  0.611871D+00
      2  -0.153491D+01 -0.107916D+02 -0.219339D+01  0.133468D+02 -0.165665D+01
      3   0.281187D+01  0.147983D+01 -0.439152D+01  0.765150D+00 -0.370043D+01
               221           222           223           224           225 
      1   0.417500D+00 -0.118970D+01 -0.228053D+01  0.166648D+01  0.403101D+01
      2  -0.231366D+01  0.140807D+01  0.167589D+02  0.368807D+01 -0.318055D+02
      3  -0.342597D+01  0.157492D+01  0.163007D+01  0.681053D+01 -0.872060D+00
               226           227           228           229           230 
      1   0.344858D+00  0.258884D+00 -0.371735D+00  0.786521D+00  0.351528D+01
      2   0.225346D+01 -0.161382D+00  0.247324D+01  0.167088D+01  0.126711D+02
      3  -0.412779D+01 -0.269918D+01 -0.124056D+00 -0.791605D+01 -0.400657D+02
               231           232           233           234           235 
      1  -0.263773D+01 -0.538199D+00  0.157846D+01 -0.638481D+00 -0.280708D+01
      2   0.104201D+02  0.466970D+01  0.863868D+01  0.625121D+01  0.963907D+01
      3  -0.128866D+02 -0.177962D+01 -0.142759D+02 -0.770618D+01  0.137103D+02
               236           237           238           239           240 
      1   0.221811D+01 -0.130350D+01  0.214926D+01 -0.266064D+01  0.639108D+00
      2  -0.400564D+01  0.125227D+02 -0.696609D+01  0.689309D+01 -0.896372D+01
      3  -0.108709D+02  0.680335D+01 -0.122416D+02  0.110050D+02 -0.894768D+01
               241           242           243           244           245 
      1  -0.224805D+01  0.322095D+01 -0.137619D+01 -0.190864D+01  0.322266D-01
      2   0.136897D+02 -0.453603D+01  0.122254D+02  0.587993D+01  0.140107D+01
      3   0.819125D+01 -0.107413D+02  0.704979D+01 -0.102254D+01 -0.272614D+01
               246           247           248           249           250 
      1  -0.114059D+01 -0.469521D+00 -0.182121D+00 -0.233185D+01 -0.115913D+01
      2   0.322158D+01  0.128840D+01  0.299506D+01  0.563079D+01  0.354035D+00
      3   0.234077D+00 -0.186914D+01 -0.406311D+01 -0.286980D+01  0.371184D+00
               251           252           253           254           255 
      1   0.145674D+01 -0.494458D+01  0.344870D+01 -0.347628D+01 -0.429538D+01
      2   0.483944D+01  0.157161D+02 -0.567388D+01 -0.475035D+01  0.720004D+01
      3  -0.435194D+01 -0.396151D+01  0.195753D+01 -0.195603D+02  0.188039D+00
               256           257           258           259           260 
      1  -0.731573D+00  0.745106D+01 -0.676223D+01 -0.436313D+01 -0.145445D+01
      2  -0.659128D+01 -0.593219D+01  0.102877D+02  0.768168D+01  0.108249D+02
      3  -0.160880D+02  0.660833D+01  0.693266D+01  0.122408D+01  0.103408D+02
               261           262           263           264           265 
      1  -0.107679D+02 -0.231025D+01  0.266064D+01  0.108740D+01  0.377069D+01
      2   0.108739D+02  0.435262D+00 -0.421716D-01  0.346143D+01  0.604285D-01
      3  -0.658611D+01  0.801876D+01 -0.105377D+02  0.265771D+01 -0.123217D+02
               266           267           268           269           270 
      1  -0.519261D+01 -0.144635D+01  0.405053D+00 -0.343549D+00 -0.104618D+01
      2   0.741520D+00 -0.531288D+01  0.131025D+01 -0.182273D+01  0.409846D+00
      3   0.225348D+02 -0.388936D+01 -0.296031D+01  0.408356D+01  0.148155D+01
               271           272           273           274           275 
      1  -0.250494D+01  0.274665D+01  0.329563D+01  0.194474D+01 -0.594416D+01
      2  -0.153511D+01  0.243857D+01 -0.144511D+01  0.187770D+01 -0.209884D+01
      3  -0.115748D+02  0.136118D+02  0.602730D-01  0.113339D+02 -0.226919D+02
               276           277           278           279           280 
      1  -0.349519D+01  0.198985D+01 -0.950174D+00 -0.911414D+00  0.236281D+01
      2   0.107008D+01 -0.209799D+01  0.830439D+00 -0.438333D+00 -0.386397D+01
      3  -0.383366D+00  0.232563D+01 -0.443295D+01 -0.251622D+01 -0.509931D+00
               281           282           283           284           285 
      1   0.140321D+01  0.191942D+01  0.130650D+01  0.303196D+01  0.263084D+01
      2  -0.257440D+00 -0.313964D+01 -0.222866D+01 -0.176770D+01 -0.448043D+01
      3   0.158129D+01 -0.139334D+01  0.195872D+01  0.123048D+01  0.677278D+00
               286           287           288           289           290 
      1   0.118110D+01  0.475360D+01  0.140189D+02 -0.112073D+01 -0.135371D+01
      2  -0.428424D+01 -0.737613D+00 -0.196596D+02  0.447927D+01  0.406920D+00
      3  -0.168834D+01  0.350752D+01 -0.389696D+00  0.623842D+01 -0.506937D+01
               291           292           293           294           295 
      1  -0.340125D+01 -0.136272D+01 -0.179671D+01 -0.126836D+01 -0.193742D+01
      2   0.616213D+01  0.183386D+01  0.973195D+00  0.140236D+01  0.197962D+01
      3   0.880855D+00 -0.219859D+00 -0.425166D+01 -0.430998D-01 -0.756194D-01
               296           297 
      1   0.197770D+00  0.127788D+01
      2   0.553176D+00 -0.152295D+01
      3  -0.112878D+01  0.785177D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.560723D+01 -0.474445D+01 -0.208834D+02  0.104501D+02 -0.123746D+02
      2  -0.457827D+00 -0.382958D-01  0.365349D+01 -0.104109D+01  0.198882D+02
      3   0.606506D+01  0.478274D+01  0.172299D+02 -0.940900D+01 -0.751364D+01
      4  -0.668846D+01 -0.337289D+01 -0.833863D+01  0.275081D+01 -0.145311D+01
      5  -0.185598D+02 -0.692267D+01  0.128532D+01 -0.718451D+01 -0.207293D+01
      6  -0.990880D+01 -0.193566D+00 -0.234029D+00 -0.310919D+01  0.118510D+01
                 6             7             8             9            10 
      1  -0.436474D+01  0.281260D+02  0.109076D+02  0.138974D+02  0.521640D+02
      2   0.846625D+01 -0.694890D+01 -0.105644D+01 -0.615111D+01 -0.194815D+02
      3  -0.410150D+01 -0.211771D+02 -0.985115D+01 -0.774625D+01 -0.326825D+02
      4  -0.136374D+01  0.514850D+01  0.167261D+01 -0.389795D+01  0.463964D+01
      5  -0.696878D+01  0.140827D+02 -0.358915D+01 -0.384443D+01  0.752941D+01
      6   0.183757D+01 -0.548820D+01 -0.354998D+01 -0.111591D+02  0.910805D+00
                11            12            13            14            15 
      1   0.430613D+01  0.417764D+01  0.193247D+01 -0.269536D+01 -0.653995D+01
      2  -0.105804D+00  0.301983D+01  0.351771D+01  0.783853D+01  0.289028D+01
      3  -0.420032D+01 -0.719747D+01 -0.545017D+01 -0.514317D+01  0.364967D+01
      4   0.479529D+00  0.352239D+01  0.145201D+02  0.425233D+01  0.149252D+00
      5   0.462621D+01  0.635647D+01 -0.948923D+01  0.726340D+00  0.222347D+01
      6   0.640086D+00  0.225862D+01 -0.782647D+01 -0.585252D+01  0.956114D+01
                16            17            18            19            20 
      1   0.103948D+02 -0.716516D+01 -0.166962D+02  0.476365D+01  0.120559D+02
      2  -0.568063D+01 -0.498162D+01  0.120445D+01  0.469274D+01 -0.951054D+01
      3  -0.471415D+01  0.121468D+02  0.154917D+02 -0.945639D+01 -0.254534D+01
      4  -0.122574D+02 -0.151383D+00 -0.142968D+01  0.167718D+01  0.600994D+01
      5  -0.142693D+02 -0.309675D+00 -0.228034D+01  0.185528D+02  0.317584D+01
      6  -0.334233D+01  0.835279D+00  0.629897D+01  0.733953D+01 -0.222763D+01
                21            22            23            24            25 
      1   0.217686D+02 -0.916814D+01 -0.279752D+01  0.156764D+02 -0.200109D+02
      2  -0.947427D+01 -0.187757D+01  0.639760D+01  0.162349D+00  0.319018D+01
      3  -0.122944D+02  0.110457D+02 -0.360008D+01 -0.158387D+02  0.168207D+02
      4   0.467822D+01  0.704609D+01 -0.625116D+01 -0.504636D+00 -0.234259D+01
      5  -0.483447D+01  0.974086D+01  0.145006D+01  0.375667D+00  0.104643D+02
      6  -0.518301D+01  0.372487D+01 -0.108989D+00  0.415880D+01  0.127138D+02
                26            27            28            29            30 
      1   0.385746D+01  0.571280D+01  0.106526D+02  0.206942D+01 -0.367620D+01
      2  -0.327616D+00  0.858413D+00 -0.478795D+00  0.485265D+00 -0.953494D+00
      3  -0.352984D+01 -0.657121D+01 -0.101738D+02 -0.255468D+01  0.462969D+01
      4  -0.191310D+00  0.709051D+01  0.650187D+01  0.389458D+01  0.890225D+00
      5   0.639192D+01  0.593071D+01 -0.178622D+01  0.933064D+00  0.740648D+01
      6   0.635165D+01 -0.772820D+01 -0.713974D+01  0.219664D+01  0.259197D+01
                31            32            33            34            35 
      1  -0.621366D+01 -0.215549D+01 -0.804088D+01  0.495882D+01 -0.531196D+01
      2   0.605931D+01  0.555523D+01  0.322117D+00 -0.646039D+01 -0.777556D+01
      3   0.154354D+00 -0.339975D+01  0.771876D+01  0.150157D+01  0.130875D+02
      4   0.174121D+02  0.224220D+00 -0.282576D+01 -0.118374D+02 -0.662392D+01
      5  -0.141038D+02 -0.255452D+01  0.258276D+01 -0.152605D+02 -0.235916D+00
      6  -0.217504D+01 -0.377054D+01  0.798367D+01 -0.671686D+01  0.208664D+00
                36            37            38            39            40 
      1  -0.213057D+02  0.931634D+01 -0.232727D+01 -0.265054D+02  0.549715D+01
      2   0.475144D+01 -0.873986D+01 -0.135983D+01  0.272372D+01  0.424594D+01
      3   0.165543D+02 -0.576482D+00  0.368711D+01  0.237817D+02 -0.974309D+01
      4   0.634019D+00 -0.880906D+01 -0.512576D+01 -0.912964D+01  0.934302D+01
      5   0.969844D+00 -0.769629D+01 -0.628389D+01 -0.438183D+01 -0.496592D+01
      6   0.709543D+01 -0.619757D+01  0.127424D+01 -0.481003D+01 -0.291903D+01
                41            42            43            44            45 
      1  -0.107598D+02 -0.246117D+00  0.197190D+02  0.851305D+01  0.864114D+01
      2   0.143435D+02  0.804082D+01 -0.894667D+00  0.331106D+01 -0.591821D+01
      3  -0.358374D+01 -0.779470D+01 -0.188243D+02 -0.118241D+02 -0.272293D+01
      4   0.364524D+00 -0.160181D+01  0.554399D+00  0.447532D+01 -0.466839D+01
      5  -0.855973D+00 -0.109467D+02  0.802104D+01 -0.521833D+01 -0.299521D+01
      6   0.430199D+01  0.617510D+01 -0.823686D+01 -0.242999D+01 -0.130228D+02
                46            47            48            49            50 
      1  -0.604656D+01  0.824929D+01  0.221089D+02 -0.244737D+02 -0.473710D+01
      2   0.890414D+01 -0.406666D+01 -0.812323D+01  0.796911D+01  0.404065D+01
      3  -0.285758D+01 -0.418263D+01 -0.139856D+02  0.165046D+02  0.696454D+00
      4  -0.783467D+00  0.786735D+01  0.442714D+01  0.105448D+02 -0.402320D+01
      5   0.109659D+02  0.978231D+00 -0.967538D+01  0.430722D+01 -0.286787D+01
      6   0.439422D+01 -0.496313D+01 -0.742888D+01  0.105440D+01 -0.114488D+01
                51            52            53            54            55 
      1   0.201865D+02 -0.314470D+02  0.357910D+01 -0.199700D+01 -0.494745D+02
      2   0.875988D+00  0.496758D+01  0.689622D+00  0.346047D+01  0.213157D+02
      3  -0.210625D+02  0.264794D+02 -0.426872D+01 -0.146347D+01  0.281588D+02
      4  -0.675130D+00 -0.481132D+01 -0.172973D+01  0.531337D+01  0.963219D+01
      5   0.133243D+01  0.111243D+01  0.499289D+01  0.768656D+01 -0.823750D+01
      6   0.984867D+01  0.100209D+02  0.788409D+01 -0.111183D+02 -0.247915D+01
                56            57            58            59            60 
      1   0.102854D+02 -0.633785D+01  0.445551D+02 -0.197177D+01  0.124612D+02
      2  -0.592474D+01  0.462812D+00 -0.317386D+02 -0.160167D+02 -0.108865D+02
      3  -0.436065D+01  0.587504D+01 -0.128165D+02  0.179884D+02 -0.157462D+01
      4  -0.101112D+02  0.475316D+01 -0.262185D+02 -0.369624D+02 -0.116850D+02
      5   0.440204D+01 -0.156521D+02  0.112573D+02 -0.118892D+02 -0.110287D+00
      6   0.105596D+01 -0.354605D+01 -0.829595D-01 -0.641641D+01 -0.725905D+00
                61            62            63            64            65 
      1  -0.344844D+02  0.100854D+02 -0.147293D+02 -0.175495D+02 -0.395032D+02
      2   0.828582D+01 -0.116174D+02  0.128372D+02  0.136008D+02  0.195541D+02
      3   0.261986D+02  0.153199D+01  0.189207D+01  0.394873D+01  0.199490D+02
      4   0.800987D+01 -0.176543D+02 -0.776662D+01 -0.436769D+02  0.513996D+01
      5  -0.321203D+02 -0.720349D+01  0.345435D+02 -0.570540D+01 -0.120131D+02
      6  -0.668147D+01 -0.345336D+01  0.894687D+01 -0.312930D+01 -0.269387D+01
                66            67            68            69            70 
      1  -0.935030D+01 -0.813344D+02  0.124096D+02 -0.142734D+02  0.113320D+02
      2   0.574190D+00  0.432856D+02 -0.856367D+01  0.600756D+01 -0.542341D+01
      3   0.877611D+01  0.380488D+02 -0.384593D+01  0.826586D+01 -0.590856D+01
      4  -0.107088D+02  0.129256D+02  0.380193D+02  0.167765D+02 -0.136763D+02
      5   0.234985D+02 -0.225638D+02  0.177179D+02 -0.152278D+01  0.440196D+02
      6  -0.159365D+01  0.234793D+01 -0.103032D+01 -0.276552D+00 -0.427426D-01
                71            72            73            74            75 
      1  -0.934714D+01  0.449883D+02  0.382885D+02  0.347654D+02 -0.264678D+01
      2   0.236815D+01 -0.131055D+02 -0.303279D+02 -0.152429D+02 -0.403361D+01
      3   0.697899D+01 -0.318827D+02 -0.796059D+01 -0.195225D+02  0.668039D+01
      4   0.197234D+02 -0.753487D+00  0.303097D+02 -0.190463D+02  0.125835D+02
      5  -0.314420D-01 -0.450551D+02 -0.475264D+01  0.127096D+02 -0.243478D+02
      6   0.495617D+01  0.172099D+00  0.726799D+01 -0.457687D+01  0.118664D+02
                76            77            78            79            80 
      1   0.414981D+02 -0.179357D+02  0.618444D+01 -0.612416D+01  0.826856D+01
      2  -0.184687D+02  0.135345D+02  0.397145D+01 -0.584614D+01  0.405097D+01
      3  -0.230294D+02  0.440114D+01 -0.101559D+02  0.119703D+02 -0.123195D+02
      4  -0.236849D+02 -0.145932D+02 -0.242852D+02  0.151576D+02 -0.321104D+02
      5   0.152554D+02 -0.230973D+02  0.812981D+01 -0.355177D+02  0.150745D+02
      6  -0.796942D+01  0.125210D+02 -0.352358D+01  0.137260D+02 -0.738328D+01
                81            82            83            84            85 
      1  -0.273014D+02  0.301245D+02  0.451279D+02  0.211023D+01  0.648273D+02
      2   0.165331D+02 -0.958341D+01 -0.257598D+02  0.236069D+01 -0.383470D+02
      3   0.107683D+02 -0.205411D+02 -0.193681D+02 -0.447091D+01 -0.264803D+02
      4   0.219241D+02  0.484282D+02 -0.484425D+01  0.196672D+02 -0.197851D+02
      5   0.380294D+02 -0.119601D+01  0.216630D+02 -0.397183D+02  0.284248D+02
      6  -0.119662D+02  0.623995D+01 -0.779749D+00 -0.936298D+00 -0.532857D+01
                86            87            88            89            90 
      1  -0.693892D+01  0.279925D+02 -0.435616D+01  0.239439D+02 -0.549525D+02
      2  -0.943297D+00 -0.194663D+02  0.493536D+01 -0.171277D+02  0.274481D+02
      3   0.788222D+01 -0.852620D+01 -0.579195D+00 -0.681618D+01  0.275044D+02
      4  -0.486026D+02 -0.358322D+02  0.216123D+02 -0.334324D+02 -0.337665D+01
      5  -0.384125D+02  0.350283D+01 -0.606436D+02 -0.179607D+01  0.344114D+02
      6  -0.121688D+02 -0.718965D+01 -0.222197D+01 -0.731010D+01  0.527407D+01
                91            92            93            94            95 
      1   0.744849D+01  0.170026D+02 -0.751800D+01  0.275682D+02 -0.135997D+02
      2  -0.243585D+01 -0.122416D+02  0.486193D+01 -0.175647D+02  0.413332D+01
      3  -0.501264D+01 -0.476097D+01  0.265608D+01 -0.100035D+02  0.946641D+01
      4   0.123830D+02 -0.108591D+02  0.102439D+01 -0.390069D+02 -0.313074D+01
      5  -0.569756D+01  0.103482D+01 -0.588456D+01  0.832638D+01  0.676601D+01
      6   0.240529D+00  0.136886D+01 -0.557263D+01  0.559760D+01  0.784634D+01
                96            97            98            99           100 
      1  -0.232781D+01 -0.699100D+00 -0.428607D+01  0.175195D+01 -0.470765D+01
      2   0.402330D+01  0.685328D+01  0.114366D+02 -0.270278D+01  0.546934D+01
      3  -0.169549D+01 -0.615418D+01 -0.715053D+01  0.950825D+00 -0.761687D+00
      4   0.685105D+01  0.945939D+01  0.165775D+02 -0.239734D+02  0.320093D+01
      5  -0.196006D+02 -0.132810D+02 -0.230273D+02 -0.213801D+02  0.152445D+02
      6  -0.100487D+02 -0.124972D+02 -0.123167D+02 -0.727863D+01 -0.108077D+01
               101           102           103           104           105 
      1  -0.512192D+01  0.974559D+01  0.760983D+01  0.167014D+02 -0.210064D+01
      2   0.381378D+01 -0.685391D+01 -0.893962D+01 -0.605057D+01  0.223980D+01
      3   0.130814D+01 -0.289168D+01  0.132979D+01 -0.106509D+02 -0.139161D+00
      4   0.883612D+01 -0.101141D+01  0.158708D+02 -0.828888D+01 -0.565916D+00
      5  -0.443192D+00 -0.151800D+02 -0.201641D+01 -0.339264D+00  0.295838D+02
      6   0.949929D-01  0.838240D+01 -0.207721D+01  0.203553D+01 -0.680930D+01
               106           107           108           109           110 
      1   0.281160D+02 -0.666996D+01 -0.166094D+02  0.443951D+02 -0.928040D+01
      2  -0.130021D+02 -0.878756D+00  0.146303D+02 -0.257770D+02  0.412932D+01
      3  -0.151139D+02  0.754872D+01  0.197909D+01 -0.186181D+02  0.515107D+01
      4  -0.144369D+02  0.116534D+02  0.213498D+02 -0.155125D+02  0.121180D+02
      5  -0.351165D+02  0.214207D+02  0.283503D+02 -0.375481D+02  0.328370D+01
      6   0.113965D+02 -0.129135D+02 -0.548765D+01  0.736555D+01 -0.318401D+01
               111           112           113           114           115 
      1  -0.271212D+02 -0.139973D+02  0.144824D+01 -0.170702D+00 -0.490212D+02
      2   0.180691D+02  0.454679D+01  0.360535D+01 -0.670320D+00  0.286828D+02
      3   0.905217D+01  0.945055D+01 -0.505359D+01  0.841023D+00  0.203384D+02
      4   0.575420D+01  0.191424D+02 -0.168668D+02 -0.177013D+02  0.196981D+02
      5   0.303902D+02  0.928756D+01 -0.183106D+02 -0.202138D+02  0.459804D+02
      6  -0.583607D+01 -0.392903D+01  0.884978D+01  0.143373D+02 -0.767398D+01
               116           117           118           119           120 
      1   0.499582D+01  0.132980D+02  0.275364D+01  0.844658D+01  0.145211D+02
      2  -0.143867D+01 -0.235432D+02 -0.103167D+02  0.335991D+01 -0.102691D+02
      3  -0.355715D+01  0.102453D+02  0.756304D+01 -0.118065D+02 -0.425197D+01
      4  -0.278401D+02 -0.141391D+02  0.162197D+02 -0.216650D+02 -0.847764D+00
      5  -0.138823D+02 -0.757606D+02  0.132184D+02  0.261796D+01  0.102172D+02
      6   0.145874D+02  0.197198D+02 -0.805755D+00 -0.159964D+01 -0.129977D+01
               121           122           123           124           125 
      1   0.167431D+02 -0.276218D+02  0.685181D+01  0.270170D+02  0.868310D-01
      2   0.145360D+01  0.759858D+01 -0.463785D+01 -0.155331D+02 -0.256026D+01
      3  -0.181967D+02  0.200233D+02 -0.221395D+01 -0.114838D+02  0.247343D+01
      4  -0.260461D+02  0.308965D+02  0.699345D+01 -0.159233D+02  0.197083D+02
      5   0.770111D+00  0.649474D+01 -0.569305D+01  0.289742D+02 -0.175367D+02
      6  -0.129052D+01 -0.475260D+01  0.860049D+01 -0.754295D+01  0.141358D+02
               126           127           128           129           130 
      1   0.435719D+01  0.490263D+00 -0.284436D+01 -0.203766D+01 -0.662327D+00
      2  -0.132642D+02 -0.100691D+01  0.255253D+01 -0.389114D-01 -0.412802D-01
      3   0.890703D+01  0.516650D+00  0.291839D+00  0.207657D+01  0.703607D+00
      4  -0.148471D+02  0.427852D+01  0.444341D+01  0.432850D+01  0.408005D+01
      5   0.422286D+02  0.748866D+01  0.467170D+01  0.831792D+01  0.603079D+01
      6  -0.145010D+02  0.520778D+01  0.448162D+01  0.602847D+01  0.486135D+01
               131           132           133           134           135 
      1  -0.717790D+01 -0.830263D+01 -0.323775D+01 -0.110464D+02 -0.187350D+02
      2   0.416150D+01  0.917469D+00 -0.130629D+01  0.476384D+01 -0.261498D+00
      3   0.301640D+01  0.738516D+01  0.454404D+01  0.628252D+01  0.189965D+02
      4   0.510147D+01  0.397587D+01  0.422793D+01  0.424075D+01  0.481038D+01
      5   0.555731D+01  0.813507D+01  0.950671D+01  0.641638D+01  0.139119D+02
      6   0.872667D+01  0.100426D+02  0.646260D+01  0.124994D+02  0.171781D+02
               136           137           138           139           140 
      1   0.282836D+01  0.290241D+00  0.230925D+01  0.124659D+01 -0.229727D+01
      2  -0.505911D+01  0.261144D+00  0.346734D+01  0.561256D+00  0.202391D+00
      3   0.223075D+01 -0.551385D+00 -0.577659D+01 -0.180784D+01  0.209488D+01
      4  -0.368473D+01  0.270456D+01  0.225606D+01  0.212327D+01 -0.171073D+01
      5  -0.881803D+01  0.124212D+01  0.889926D+01  0.238870D+01 -0.232485D+01
      6   0.880868D+00 -0.194197D+01 -0.123946D+01 -0.186505D+01  0.237017D+01
               141           142           143           144           145 
      1  -0.452881D+01  0.316723D+01 -0.355542D+01 -0.136008D+02 -0.271931D+01
      2  -0.927646D+00  0.417781D+01  0.535837D+00 -0.692366D+01 -0.234642D+01
      3   0.545646D+01 -0.734504D+01  0.301958D+01  0.205244D+02  0.506573D+01
      4  -0.235916D+01  0.465108D+01 -0.445042D+01 -0.604031D+01  0.439648D+01
      5  -0.232499D+01  0.113934D+02 -0.298070D+01 -0.150002D+02  0.981695D+01
      6   0.354447D+01 -0.348080D+01  0.553558D+01  0.685947D+01  0.593667D+01
               146           147           148           149           150 
      1  -0.355839D+01 -0.507107D+01 -0.374952D+01 -0.745898D+01 -0.120804D+02
      2   0.933529D+00 -0.202276D+01 -0.123268D+01  0.151095D+01 -0.185510D+01
      3   0.262486D+01  0.709383D+01  0.498220D+01  0.594803D+01  0.139355D+02
      4   0.434523D+01  0.399611D+01  0.303990D+01  0.359654D+01  0.321685D+01
      5   0.566358D+01  0.114265D+02  0.667725D+01  0.532803D+01  0.958999D+01
      6   0.523967D+01  0.679486D+01  0.454714D+01  0.817107D+01  0.103152D+02
               151           152           153           154           155 
      1  -0.717030D+01 -0.122113D+02 -0.255175D+02  0.361861D+00 -0.546840D+00
      2  -0.266401D+01  0.125180D+01 -0.694118D+01 -0.840295D+01  0.107731D+01
      3   0.983430D+01  0.109595D+02  0.324587D+02  0.804108D+01 -0.530466D+00
      4   0.388048D+01  0.377529D+01  0.391383D+01 -0.353645D+01  0.303847D+01
      5   0.109512D+02  0.696088D+01  0.171782D+02 -0.154169D+02  0.192235D+01
      6   0.693759D+01  0.129810D+02  0.188961D+02  0.729440D+00 -0.260232D+01
               156           157           158           159           160 
      1   0.450747D+01  0.346972D+01 -0.226260D+01 -0.617623D+01  0.363800D+01
      2   0.865612D+01 -0.668781D-01 -0.238751D+00 -0.249354D+01  0.933022D+01
      3  -0.131636D+02 -0.340284D+01  0.250135D+01  0.866977D+01 -0.129682D+02
      4   0.290966D+01  0.118789D+01 -0.116451D+01 -0.275235D+01  0.473878D+01
      5   0.164734D+02  0.202195D+01 -0.271674D+01 -0.363912D+01  0.169417D+02
      6  -0.224376D+00 -0.178716D+01  0.224266D+01  0.348703D+01 -0.306618D+01
               161           162           163           164           165 
      1  -0.333575D+01 -0.200598D+02  0.144157D+02 -0.636385D+00 -0.720028D+01
      2  -0.106214D+01 -0.153353D+02 -0.109329D+02  0.611968D+00  0.604599D+01
      3   0.439789D+01  0.353951D+02 -0.348281D+01  0.244163D-01  0.115429D+01
      4  -0.423052D+01 -0.599126D+01  0.314061D+01  0.710827D+01 -0.592937D+01
      5  -0.397303D+01 -0.246885D+02 -0.151306D+02 -0.527167D+01  0.178120D+02
      6   0.590945D+01  0.600582D+01 -0.352782D+01 -0.244993D+01  0.392155D+01
               166           167           168           169           170 
      1  -0.860491D+01 -0.112213D+01  0.880501D+00 -0.147384D+02  0.107965D+01
      2   0.483153D+01  0.181466D+01 -0.591759D+00  0.120582D+02  0.393104D+00
      3   0.377338D+01 -0.692531D+00 -0.288743D+00  0.268021D+01 -0.147275D+01
      4   0.542639D+01  0.556375D+01 -0.461996D+01 -0.837748D+01 -0.908485D+01
      5  -0.159309D+01 -0.502843D+01  0.281790D+00  0.214903D+02  0.106617D+02
      6  -0.200859D+01 -0.190718D+01  0.506979D+01  0.645108D+01  0.768286D+01
               171           172           173           174           175 
      1  -0.402918D+01  0.774072D+01  0.614174D+01  0.345268D+01  0.894057D+01
      2  -0.112229D+02  0.561696D+00 -0.104857D+01 -0.114310D+01  0.456183D+01
      3   0.152521D+02 -0.830242D+01 -0.509317D+01 -0.230959D+01 -0.135024D+02
      4   0.106091D+02  0.935982D+01  0.130625D+02  0.582630D+00  0.240394D+02
      5  -0.417229D+02  0.427407D+01 -0.201637D-01  0.399590D+01  0.154456D+01
      6  -0.140789D+02  0.154098D+01  0.308765D-02  0.676893D+00  0.123005D+01
               176           177           178           179           180 
      1  -0.162320D+02 -0.156521D+01  0.167611D+02 -0.361107D+01 -0.315157D-01
      2   0.369606D+02  0.411909D+01 -0.425960D+01  0.817730D+01  0.155949D+01
      3  -0.207286D+02 -0.255388D+01 -0.125015D+02 -0.456623D+01 -0.152798D+01
      4   0.518044D+02  0.610247D+01  0.698490D+01  0.158264D+02  0.782991D+01
      5   0.553216D+01  0.566577D+01  0.871972D+01  0.758392D+01  0.236080D+01
      6   0.290577D+01  0.556137D+01  0.312919D+01  0.699906D+01  0.269266D+01
               181           182           183           184           185 
      1  -0.117878D+02  0.487785D+01  0.133052D+02  0.101649D+02 -0.735249D+01
      2   0.164911D+01 -0.217522D+01 -0.229489D+01 -0.498097D+01  0.330339D+01
      3   0.101387D+02 -0.270263D+01 -0.110103D+02 -0.518391D+01  0.404911D+01
      4   0.571762D+01 -0.202091D+01  0.162447D+01  0.829938D+00 -0.487975D+01
      5   0.664787D+01  0.151033D+01 -0.553798D+01  0.137551D+01  0.313311D+01
      6  -0.421675D+00 -0.488213D+00  0.324380D+00 -0.132409D+01 -0.279699D-01
               186           187           188           189           190 
      1   0.226430D+01  0.220548D+02  0.336282D+01 -0.280443D+02  0.118300D+02
      2  -0.101192D+01 -0.804635D+01 -0.191927D+01 -0.700365D+01 -0.631571D+01
      3  -0.125238D+01 -0.140085D+02 -0.144354D+01  0.350479D+02 -0.551427D+01
      4   0.346215D+01  0.258018D+01  0.673411D+01 -0.737805D-02 -0.107212D+02
      5  -0.734965D+00 -0.217553D+01  0.347517D+00  0.450250D+02 -0.149424D+02
      6   0.679512D+01  0.221385D+00  0.382190D+01 -0.121509D+01  0.373890D+01
               191           192           193           194           195 
      1  -0.547029D+01 -0.112026D+02 -0.108157D+01  0.150247D+01 -0.228998D+01
      2   0.100480D+01  0.817280D+01 -0.887245D+00 -0.191305D+00  0.238331D+01
      3   0.446549D+01  0.302984D+01  0.196881D+01 -0.131117D+01 -0.933259D-01
      4   0.108377D+02  0.585087D+01  0.696473D+01 -0.354833D+01 -0.500997D+01
      5   0.342970D+01  0.197986D+02 -0.528071D+00 -0.499882D+01 -0.193337D+01
      6  -0.165363D+01 -0.660788D+01 -0.150745D+01  0.158319D+01  0.600567D+01
               196           197           198           199           200 
      1  -0.187766D+02 -0.113372D+01  0.803140D+01  0.304770D+02 -0.188637D+02
      2   0.123253D+02  0.311976D+01 -0.141148D+02 -0.730408D+01 -0.350491D-01
      3   0.645137D+01 -0.198605D+01  0.608339D+01 -0.231729D+02  0.188988D+02
      4   0.112417D+02 -0.152973D+02 -0.176584D+02 -0.373445D+02  0.353443D+02
      5   0.245299D+02 -0.135627D+02 -0.534651D+02  0.151315D+02 -0.103599D+02
      6  -0.863797D+01  0.880057D+01  0.202660D+02 -0.750187D+01  0.666557D+01
               201           202           203           204           205 
      1   0.102624D+02 -0.187120D+02  0.950402D+01 -0.366286D+01  0.187015D+02
      2  -0.258430D+01 -0.171807D+00  0.114680D+02 -0.331522D+01 -0.563989D+01
      3  -0.767808D+01  0.188838D+02 -0.209720D+02  0.697808D+01 -0.130616D+02
      4  -0.130359D+02  0.354636D+02 -0.435105D+02  0.177369D+02 -0.232220D+02
      5   0.154377D+02 -0.111519D+02  0.157530D+02 -0.121781D+02  0.198673D+02
      6  -0.770337D+01  0.747514D+01 -0.109989D+02  0.895246D+01 -0.968938D+01
               206           207           208           209           210 
      1  -0.602056D+01  0.899216D+01 -0.545136D+02 -0.234665D+02 -0.124140D+01
      2  -0.457426D+01 -0.385340D+01  0.319679D+02  0.206556D+02  0.104533D+01
      3   0.105948D+02 -0.513876D+01  0.225457D+02  0.281085D+01  0.196070D+00
      4   0.298091D+02 -0.190827D+02  0.529726D+01 -0.100114D+02 -0.168807D+01
      5  -0.160949D+02  0.156636D+02 -0.163215D+01 -0.240950D+01 -0.154236D+01
      6   0.112427D+02 -0.963297D+01 -0.146193D+01 -0.448816D+00  0.264293D+01
               211           212           213           214           215 
      1  -0.195686D+02 -0.182390D+02 -0.968008D+00 -0.196407D+01  0.888924D-01
      2   0.156768D+02  0.173558D+02 -0.593370D-01  0.178666D+01 -0.489307D+00
      3   0.389176D+01  0.883274D+00  0.102734D+01  0.177411D+00  0.400415D+00
      4   0.755176D-01 -0.597081D+01  0.168195D+01 -0.413679D+00  0.315610D+01
      5  -0.120437D+01  0.109712D+01 -0.233984D+01  0.259826D+01 -0.390048D+01
      6   0.755470D+00 -0.617236D+00  0.335103D+01  0.121252D+01  0.406561D+01
               216           217           218           219           220 
      1  -0.327690D+01  0.382314D+02  0.112206D+01 -0.221343D+02 -0.433927D+01
      2   0.141653D+01 -0.205518D+02  0.287659D+00  0.105962D+02  0.357927D+01
      3   0.186037D+01 -0.176795D+02 -0.140972D+01  0.115380D+02  0.759999D+00
      4  -0.393364D+01  0.301427D+01  0.821395D+01 -0.547772D+01  0.118610D+02
      5  -0.396653D+01 -0.215467D+02 -0.477227D+01  0.261410D+02 -0.383542D+01
      6   0.113055D+01 -0.293486D+01 -0.392558D+00  0.279758D+01 -0.112717D+01
               221           222           223           224           225 
      1   0.696832D+01 -0.381578D+01 -0.539883D+02 -0.918255D+01  0.332530D+02
      2  -0.224342D+01  0.168275D+01  0.279991D+02  0.383825D+01 -0.206851D+02
      3  -0.472490D+01  0.213303D+01  0.259893D+02  0.534430D+01 -0.125679D+02
      4   0.832984D+01 -0.491076D+01 -0.122935D+02 -0.140241D+02  0.744518D+01
      5  -0.434327D+01  0.220461D+01  0.409712D+02  0.706006D+01 -0.601461D+02
      6   0.302188D+00  0.400927D+01  0.385090D+01  0.414838D+01 -0.728083D+01
               226           227           228           229           230 
      1   0.311799D+01  0.853599D+01  0.461737D+01  0.236056D+02  0.500445D+01
      2  -0.672479D-01 -0.330266D+01 -0.220358D+01 -0.817559D+01  0.132352D+02
      3  -0.305075D+01 -0.523333D+01 -0.241380D+01 -0.154300D+02 -0.182397D+02
      4   0.774391D+01  0.954572D+01  0.197670D+01  0.319927D+02  0.795049D+02
      5   0.456305D+01  0.223756D+01  0.629746D+01  0.102067D+02  0.270768D+02
      6   0.232723D+01  0.897440D+00  0.343118D+00  0.573518D+01  0.169066D+02
               231           232           233           234           235 
      1  -0.783906D+00  0.114650D+02 -0.162284D+01  0.632621D+01  0.781314D+02
      2   0.193568D+01 -0.614124D+01  0.286963D+01 -0.442757D+01 -0.446216D+02
      3  -0.115178D+01 -0.532374D+01 -0.124679D+01 -0.189864D+01 -0.335098D+02
      4   0.258244D+02  0.844031D+01  0.273912D+02  0.165760D+02 -0.221288D+02
      5   0.204665D+02  0.164277D+02  0.172646D+02  0.138173D+02  0.368486D+02
      6   0.109521D+02  0.342379D+01  0.107747D+02  0.703080D+01 -0.318677D+01
               236           237           238           239           240 
      1  -0.223965D+02  0.282077D+02 -0.550692D+02  0.180758D+02 -0.179747D+02
      2   0.131840D+02 -0.187765D+02  0.309160D+02 -0.888829D+01  0.130035D+02
      3   0.921250D+01 -0.943126D+01  0.241532D+02 -0.918751D+01  0.497117D+01
      4   0.178544D+02 -0.106975D+02  0.257504D+02 -0.197395D+02  0.164501D+02
      5  -0.125446D+02  0.297346D+02 -0.259303D+02  0.173351D+02 -0.208437D+02
      6   0.210279D+01 -0.505511D+00  0.452798D+01 -0.360722D+01  0.421093D+01
               241           242           243           244           245 
      1   0.466571D+02 -0.112593D+02  0.291999D+02  0.273233D+01  0.531833D+00
      2  -0.301291D+02  0.877596D+01 -0.226076D+02 -0.345908D+01  0.122856D+00
      3  -0.165280D+02  0.248331D+01 -0.659231D+01  0.726747D+00 -0.654689D+00
      4  -0.130013D+02  0.183118D+02 -0.106057D+02  0.474433D+01  0.706243D+01
      5   0.430465D+02 -0.117739D+02  0.313374D+02  0.127832D+02  0.385205D+01
      6  -0.185530D+01  0.484161D+01 -0.300696D+01  0.562121D+01  0.139753D+01
               246           247           248           249           250 
      1   0.779866D+01 -0.363368D+00 -0.915378D+00 -0.110899D+01  0.106743D+02
      2  -0.477683D+01  0.132570D+01  0.301034D+01  0.134486D+01 -0.757722D+01
      3  -0.302184D+01 -0.962332D+00 -0.209496D+01 -0.235863D+00 -0.309709D+01
      4   0.431854D+01  0.106985D+02  0.111241D+02  0.784553D+01  0.630381D+01
      5   0.107256D+02  0.493304D+01  0.821236D+01  0.118065D+02  0.157291D+02
      6   0.304960D+01  0.283330D+01  0.578663D+01  0.903253D+01  0.510519D+01
               251           252           253           254           255 
      1  -0.316175D+01 -0.381523D+01 -0.416065D+02 -0.456600D+02  0.753799D+01
      2   0.147074D+01 -0.675561D+01  0.270909D+01  0.323884D+02  0.169102D+01
      3   0.169100D+01  0.105708D+02  0.388974D+02  0.132715D+02 -0.922900D+01
      4   0.117258D+02  0.123927D+02 -0.564600D+02 -0.874753D+01  0.529043D+01
      5   0.119604D+02  0.345807D+02  0.121633D+02  0.900055D+01  0.637663D+01
      6   0.848055D+01  0.153008D+02  0.563708D+01 -0.293301D-01  0.356178D+01
               256           257           258           259           260 
      1  -0.357505D+02  0.131058D+02  0.126978D+02 -0.260775D+01  0.141183D+02
      2   0.287813D+02 -0.165145D+02 -0.542623D+01  0.254882D+01 -0.124532D+02
      3   0.696926D+01  0.340869D+01 -0.727161D+01  0.589324D-01 -0.166502D+01
      4   0.505816D+01  0.719126D+01 -0.986642D+01 -0.507769D+01 -0.168244D+02
      5   0.208401D+01 -0.148977D+02  0.155777D+02  0.143272D+02  0.159355D+02
      6  -0.618658D+01 -0.969671D+01  0.134648D+02  0.104806D+02  0.160446D+02
               261           262           263           264           265 
      1   0.879478D+01  0.315856D+02 -0.226048D+02  0.528300D+01 -0.258204D+02
      2   0.139948D+02 -0.831874D+01  0.404967D+01 -0.193523D+01  0.165598D+01
      3  -0.227895D+02 -0.232669D+02  0.185551D+02 -0.334777D+01  0.241644D+02
      4   0.211180D+02 -0.340762D+02  0.322437D+02 -0.660183D+01  0.439112D+02
      5   0.135008D+02  0.111844D+02 -0.796176D+01  0.822914D+01 -0.109018D+02
      6   0.355347D+01 -0.429414D+01  0.411398D+01 -0.227251D+01  0.535299D+01
               266           267           268           269           270 
      1   0.199684D+02 -0.399624D+01 -0.694296D+01  0.638362D+01  0.147419D+01
      2   0.785675D+01  0.699852D+00 -0.471410D+00  0.135686D+01 -0.195085D+00
      3  -0.278251D+02  0.329639D+01  0.741437D+01 -0.774048D+01 -0.127911D+01
      4  -0.567599D+02  0.104233D+02  0.962226D+01 -0.107549D+02 -0.443334D+01
      5   0.124526D+02 -0.113822D+02  0.435946D+01 -0.402123D+01  0.292311D+01
      6  -0.813376D+01  0.499297D+01 -0.200297D+01  0.305197D+01 -0.115919D+01
               271           272           273           274           275 
      1  -0.119503D+02  0.260059D+02 -0.168196D+01  0.178976D+02 -0.361104D+02
      2   0.142856D+02 -0.289753D+02 -0.214756D+00 -0.162617D+02  0.504371D+02
      3  -0.233529D+01  0.296936D+01  0.189672D+01 -0.163592D+01 -0.143267D+02
      4   0.191738D+01 -0.555111D+01  0.118591D+01  0.425960D+01  0.214349D+02
      5   0.275624D+01 -0.260147D+01 -0.324969D+01 -0.396510D+01  0.411607D+01
      6  -0.106725D+01  0.405859D+01 -0.488004D+01  0.125440D+01 -0.608774D+01
               276           277           278           279           280 
      1   0.126345D+00  0.363596D+01 -0.571365D+01 -0.620524D+01  0.109479D+01
      2   0.685776D+00 -0.262488D+01  0.889339D+01  0.400002D+01 -0.208789D+01
      3  -0.812121D+00 -0.101108D+01 -0.317974D+01  0.220522D+01  0.993096D+00
      4  -0.247902D+00  0.177579D+01  0.677340D+01 -0.658279D+00  0.262722D+01
      5   0.286600D+01 -0.146136D+01  0.184205D+01  0.534750D+00 -0.355422D+01
      6   0.582201D+01 -0.281044D+01  0.458890D+01  0.887612D+00 -0.175089D+01
               281           282           283           284           285 
      1   0.472093D+01 -0.750399D+01 -0.629397D+00 -0.335884D+01 -0.280451D+01
      2  -0.432761D+01  0.847803D+00 -0.125822D+01 -0.354814D-01 -0.337166D+01
      3  -0.393322D+00  0.665618D+01  0.188762D+01  0.339432D+01  0.617617D+01
      4  -0.114210D+00 -0.205066D+01 -0.198069D+01 -0.522686D+01 -0.160141D+01
      5  -0.196483D+00 -0.875963D+00  0.136281D+01 -0.591464D+00 -0.734525D+01
      6   0.155751D+01 -0.292262D+01  0.120404D+01  0.153233D+01 -0.989083D+00
               286           287           288           289           290 
      1  -0.887662D+01  0.176741D+01 -0.179991D+02  0.768776D+02  0.246769D+02
      2   0.333912D+01 -0.557314D+01 -0.145294D+02 -0.240123D+02 -0.450914D+00
      3   0.553749D+01  0.380573D+01  0.325285D+02 -0.528652D+02 -0.242260D+02
      4  -0.620565D+01 -0.856212D+01 -0.303869D+01  0.673326D+02  0.399636D+02
      5   0.562630D+01  0.332383D+00 -0.324036D+02 -0.212700D+02 -0.101554D+02
      6   0.454827D+00  0.467402D+01 -0.193720D+02 -0.849046D+01 -0.692332D+01
               291           292           293           294           295 
      1  -0.536378D+01  0.174384D+02  0.899675D+01 -0.186489D+01  0.908400D+00
      2   0.233132D+01  0.273048D+00  0.629271D+01  0.272431D+00  0.105034D+01
      3   0.303246D+01 -0.177115D+02 -0.152895D+02  0.159245D+01 -0.195874D+01
      4  -0.910453D+01  0.307986D+02  0.244151D+02 -0.340295D+01 -0.211124D+00
      5   0.135309D+02 -0.656121D+01 -0.344718D+01  0.345293D+01  0.110994D+02
      6   0.755568D+01 -0.431010D+01 -0.394688D+01  0.292097D+01  0.554098D+01
               296           297 
      1  -0.106939D+01  0.520742D+01
      2   0.186687D+01 -0.413262D+01
      3  -0.797481D+00 -0.107480D+01
      4   0.140773D+01  0.529509D+01
      5   0.403234D+01 -0.459680D+01
      6   0.289913D+01 -0.230251D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Wed Sep  8 16:54:56 2021, MaxMem=  6442450944 cpu:          116053.9 elap:           14513.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.32391 -19.26658 -10.43587 -10.32317 -10.31287
 Alpha  occ. eigenvalues --  -10.30670 -10.30205 -10.30087 -10.30007 -10.29926
 Alpha  occ. eigenvalues --  -10.29915 -10.29433 -10.29274 -10.28373 -10.28002
 Alpha  occ. eigenvalues --   -1.22122  -1.12963  -0.97524  -0.92817  -0.90215
 Alpha  occ. eigenvalues --   -0.85169  -0.84739  -0.78521  -0.78265  -0.76934
 Alpha  occ. eigenvalues --   -0.71191  -0.70003  -0.66668  -0.65518  -0.60538
 Alpha  occ. eigenvalues --   -0.59972  -0.58201  -0.56021  -0.55623  -0.53715
 Alpha  occ. eigenvalues --   -0.53692  -0.52838  -0.51349  -0.50756  -0.50315
 Alpha  occ. eigenvalues --   -0.50141  -0.47269  -0.46796  -0.46314  -0.45543
 Alpha  occ. eigenvalues --   -0.45010  -0.44413  -0.43009  -0.42196  -0.41474
 Alpha  occ. eigenvalues --   -0.41244  -0.40635  -0.40206  -0.36905  -0.33379
 Alpha  occ. eigenvalues --   -0.31618
 Alpha virt. eigenvalues --    0.03369   0.03821   0.04001   0.04367   0.04755
 Alpha virt. eigenvalues --    0.05016   0.05193   0.05406   0.05821   0.06419
 Alpha virt. eigenvalues --    0.06992   0.07057   0.07439   0.07729   0.08191
 Alpha virt. eigenvalues --    0.08421   0.09367   0.09417   0.09949   0.10434
 Alpha virt. eigenvalues --    0.10953   0.11452   0.11848   0.12592   0.12842
 Alpha virt. eigenvalues --    0.13211   0.13528   0.13782   0.13984   0.14330
 Alpha virt. eigenvalues --    0.14501   0.15179   0.15316   0.15672   0.15795
 Alpha virt. eigenvalues --    0.16247   0.16400   0.16605   0.17120   0.17614
 Alpha virt. eigenvalues --    0.17891   0.18183   0.18424   0.18779   0.19070
 Alpha virt. eigenvalues --    0.19369   0.19711   0.20035   0.20555   0.20670
 Alpha virt. eigenvalues --    0.21307   0.21538   0.22083   0.22169   0.22568
 Alpha virt. eigenvalues --    0.23011   0.23584   0.23973   0.24139   0.24475
 Alpha virt. eigenvalues --    0.25022   0.25460   0.25551   0.26256   0.26466
 Alpha virt. eigenvalues --    0.26886   0.27213   0.27479   0.27975   0.28432
 Alpha virt. eigenvalues --    0.29022   0.29238   0.29249   0.29549   0.29917
 Alpha virt. eigenvalues --    0.30025   0.30561   0.30983   0.31080   0.31548
 Alpha virt. eigenvalues --    0.31750   0.32351   0.32596   0.32798   0.33387
 Alpha virt. eigenvalues --    0.33885   0.33978   0.34637   0.35077   0.35227
 Alpha virt. eigenvalues --    0.35604   0.36216   0.37070   0.37231   0.37373
 Alpha virt. eigenvalues --    0.37839   0.38213   0.38672   0.39649   0.39965
 Alpha virt. eigenvalues --    0.40381   0.40920   0.41369   0.41808   0.42107
 Alpha virt. eigenvalues --    0.42381   0.42464   0.42758   0.43155   0.43623
 Alpha virt. eigenvalues --    0.44243   0.44367   0.45028   0.45174   0.45287
 Alpha virt. eigenvalues --    0.45525   0.45888   0.46713   0.46945   0.47516
 Alpha virt. eigenvalues --    0.47778   0.48714   0.49008   0.49331   0.49381
 Alpha virt. eigenvalues --    0.49987   0.50880   0.51125   0.51727   0.52163
 Alpha virt. eigenvalues --    0.52492   0.52997   0.53210   0.53577   0.54326
 Alpha virt. eigenvalues --    0.54503   0.55039   0.56034   0.56440   0.57032
 Alpha virt. eigenvalues --    0.57304   0.57809   0.58211   0.58550   0.59325
 Alpha virt. eigenvalues --    0.59504   0.59883   0.60253   0.61049   0.61288
 Alpha virt. eigenvalues --    0.61641   0.62054   0.62219   0.62841   0.63289
 Alpha virt. eigenvalues --    0.63637   0.64123   0.64814   0.65151   0.65324
 Alpha virt. eigenvalues --    0.65399   0.65972   0.67139   0.67209   0.67385
 Alpha virt. eigenvalues --    0.67939   0.68232   0.68335   0.69464   0.69897
 Alpha virt. eigenvalues --    0.70292   0.70641   0.70831   0.71066   0.71942
 Alpha virt. eigenvalues --    0.72436   0.72655   0.73086   0.73372   0.74169
 Alpha virt. eigenvalues --    0.74855   0.75055   0.75316   0.75593   0.76001
 Alpha virt. eigenvalues --    0.76053   0.76806   0.77497   0.77913   0.78115
 Alpha virt. eigenvalues --    0.78937   0.79355   0.79405   0.80174   0.80793
 Alpha virt. eigenvalues --    0.81658   0.82057   0.82533   0.82746   0.83019
 Alpha virt. eigenvalues --    0.83984   0.84254   0.85073   0.85296   0.85993
 Alpha virt. eigenvalues --    0.86026   0.86911   0.87396   0.87830   0.88563
 Alpha virt. eigenvalues --    0.88999   0.89522   0.89866   0.90614   0.91095
 Alpha virt. eigenvalues --    0.91464   0.91835   0.92351   0.93695   0.93748
 Alpha virt. eigenvalues --    0.94390   0.95035   0.95646   0.96304   0.97065
 Alpha virt. eigenvalues --    0.98337   0.99298   0.99907   1.00623   1.01002
 Alpha virt. eigenvalues --    1.01872   1.02138   1.03012   1.04117   1.05954
 Alpha virt. eigenvalues --    1.06859   1.07148   1.07309   1.08525   1.08827
 Alpha virt. eigenvalues --    1.09645   1.10792   1.11642   1.12775   1.13481
 Alpha virt. eigenvalues --    1.14844   1.15432   1.16004   1.16800   1.17806
 Alpha virt. eigenvalues --    1.18611   1.19675   1.19943   1.21144   1.22413
 Alpha virt. eigenvalues --    1.23040   1.24291   1.25519   1.25953   1.26478
 Alpha virt. eigenvalues --    1.27575   1.28438   1.29612   1.30087   1.31257
 Alpha virt. eigenvalues --    1.32313   1.33794   1.34748   1.36547   1.38675
 Alpha virt. eigenvalues --    1.40600   1.41614   1.42000   1.43365   1.43855
 Alpha virt. eigenvalues --    1.44737   1.46418   1.46916   1.47245   1.47939
 Alpha virt. eigenvalues --    1.48682   1.50586   1.52627   1.53343   1.54448
 Alpha virt. eigenvalues --    1.54927   1.55448   1.56076   1.56330   1.57351
 Alpha virt. eigenvalues --    1.58349   1.58901   1.59754   1.61033   1.61761
 Alpha virt. eigenvalues --    1.62356   1.64186   1.64790   1.65144   1.66426
 Alpha virt. eigenvalues --    1.66928   1.67318   1.67935   1.69212   1.70817
 Alpha virt. eigenvalues --    1.71789   1.72399   1.72729   1.73972   1.74837
 Alpha virt. eigenvalues --    1.75283   1.75776   1.77299   1.77776   1.78837
 Alpha virt. eigenvalues --    1.79406   1.80169   1.80671   1.81093   1.81206
 Alpha virt. eigenvalues --    1.82263   1.83525   1.83777   1.85421   1.86345
 Alpha virt. eigenvalues --    1.86688   1.87688   1.88799   1.90369   1.91516
 Alpha virt. eigenvalues --    1.92833   1.93665   1.93809   1.94787   1.95666
 Alpha virt. eigenvalues --    1.96587   1.96909   1.97778   1.98823   1.99292
 Alpha virt. eigenvalues --    1.99943   2.00812   2.01024   2.01221   2.02538
 Alpha virt. eigenvalues --    2.03583   2.04285   2.05768   2.06765   2.07418
 Alpha virt. eigenvalues --    2.07643   2.08648   2.09633   2.11643   2.12005
 Alpha virt. eigenvalues --    2.12899   2.13592   2.14883   2.15372   2.15865
 Alpha virt. eigenvalues --    2.16451   2.17824   2.19599   2.20029   2.20270
 Alpha virt. eigenvalues --    2.21524   2.21807   2.22857   2.23520   2.25444
 Alpha virt. eigenvalues --    2.25733   2.26167   2.27532   2.29257   2.30976
 Alpha virt. eigenvalues --    2.31429   2.32383   2.32929   2.34893   2.35478
 Alpha virt. eigenvalues --    2.35897   2.37610   2.38807   2.39063   2.40458
 Alpha virt. eigenvalues --    2.40502   2.42034   2.43096   2.44715   2.45504
 Alpha virt. eigenvalues --    2.47317   2.47965   2.51011   2.51438   2.54596
 Alpha virt. eigenvalues --    2.55863   2.56193   2.56693   2.57685   2.59987
 Alpha virt. eigenvalues --    2.61324   2.62984   2.63839   2.64890   2.67064
 Alpha virt. eigenvalues --    2.68392   2.69129   2.69790   2.71040   2.73518
 Alpha virt. eigenvalues --    2.76692   2.78607   2.79328   2.80333   2.81732
 Alpha virt. eigenvalues --    2.84119   2.84857   2.87956   2.89865   2.91082
 Alpha virt. eigenvalues --    2.92677   2.95184   2.97151   2.98266   2.99670
 Alpha virt. eigenvalues --    3.04439   3.11635   3.15367   3.16658   3.18801
 Alpha virt. eigenvalues --    3.21255   3.27440   3.35760   3.42450   3.43903
 Alpha virt. eigenvalues --    3.45954   3.51087   3.52233   3.52977   3.55148
 Alpha virt. eigenvalues --    3.59294   3.61526   3.68836   3.70741   3.80488
 Alpha virt. eigenvalues --    3.81842   3.92037   3.99077   4.10571   4.88830
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   37.615474 -11.256664 -11.237921   4.093178  -3.855193  -5.037378
     2  C  -11.256664  25.272072   3.998523  -7.242501  -1.814418  -3.753216
     3  C  -11.237921   3.998523  37.618304  -9.812438  -5.787144  -4.202765
     4  C    4.093178  -7.242501  -9.812438  27.866378  -4.832818  -1.926954
     5  C   -3.855193  -1.814418  -5.787144  -4.832818  27.563396  -4.612712
     6  C   -5.037378  -3.753216  -4.202765  -1.926954  -4.612712  25.825482
     7  C   -1.325527  -1.377981  -0.413645  -0.463226  -0.503525   0.107521
     8  C   -0.413619   0.209359   0.006493  -0.161369  -0.033766  -0.267143
     9  C   -0.484204  -0.016473   0.071138  -0.073753   0.145877   0.216774
    10  C   -0.100397  -0.004197   0.022826   0.015257   0.015174  -0.003976
    11  C   -0.102114  -0.246707  -0.651156  -5.024449   0.317112   0.027165
    12  C    0.176041  -0.011149  -1.010664   0.864425  -0.051257  -0.121537
    13  O   -0.059949  -0.005971   0.132867  -0.069336   0.003545   0.008014
    14  O   -0.047314   0.011240   0.105420   0.008879  -0.010299   0.017738
    15  H   -4.341931   2.504263   1.488626  -1.324263   0.065931   0.545330
    16  H    1.597171  -1.150184  -4.610632   2.072183   0.510112  -0.007327
    17  H   -0.247152   0.074760   0.136985   0.687733  -2.895159   1.279374
    18  H    0.158024   0.733726  -0.224792   0.194670   1.052957  -2.682565
    19  H   -0.775855  -0.574125  -0.077553  -0.027793   0.432291   0.722904
    20  H    0.899982  -0.286149   0.220209   0.195967  -0.257633  -0.382251
    21  H    0.237077  -0.207732   0.018791   0.072627   0.004043   0.071492
    22  H   -0.062469  -0.110301   0.017515  -0.004272   0.070925   0.153669
    23  H   -0.055470   0.072736  -0.000438  -0.004917   0.024805  -0.030332
    24  H    0.062009  -0.041790   0.037398   0.041645  -0.110993   0.021521
    25  H    0.069888   0.084771  -0.010000   0.009936  -0.000939  -0.026298
    26  H   -0.119736   0.203871   0.010884  -0.002232   0.017834   0.053956
    27  H   -0.009493  -0.124236   0.003574  -0.006515  -0.005829  -0.009967
    28  H   -0.044076   0.021356  -0.141576   0.692082   0.076080  -0.027104
    29  C    0.044233  -0.172722  -0.689647  -0.654850   0.309101   0.068815
    30  H    0.008587   0.000598  -0.024586   0.031973  -0.006098  -0.002638
    31  H   -0.004393  -0.057011   0.040510  -0.674826   0.160741   0.050815
    32  H   -0.032360  -0.066240  -0.329665  -0.018312   0.139575   0.041624
    33  H   -0.003562   0.046474   0.121604   0.889879  -0.216751  -0.027109
               7          8          9         10         11         12
     1  C   -1.325527  -0.413619  -0.484204  -0.100397  -0.102114   0.176041
     2  C   -1.377981   0.209359  -0.016473  -0.004197  -0.246707  -0.011149
     3  C   -0.413645   0.006493   0.071138   0.022826  -0.651156  -1.010664
     4  C   -0.463226  -0.161369  -0.073753   0.015257  -5.024449   0.864425
     5  C   -0.503525  -0.033766   0.145877   0.015174   0.317112  -0.051257
     6  C    0.107521  -0.267143   0.216774  -0.003976   0.027165  -0.121537
     7  C   10.941177  -0.441271   0.142104   0.105198  -0.295940  -0.003537
     8  C   -0.441271   8.969574  -0.258265  -0.121032  -0.022816   0.000706
     9  C    0.142104  -0.258265   4.730058  -0.231820  -0.003301  -0.000442
    10  C    0.105198  -0.121032  -0.231820   5.007217  -0.004907   0.000249
    11  C   -0.295940  -0.022816  -0.003301  -0.004907  14.556344  -2.186037
    12  C   -0.003537   0.000706  -0.000442   0.000249  -2.186037   7.426217
    13  O   -0.001457   0.000295  -0.000053   0.000020   0.064864   0.082612
    14  O    0.000918  -0.000171  -0.000025   0.000001   0.073892  -0.258945
    15  H   -0.129880   0.041247   0.015132   0.029145  -0.013943  -0.001952
    16  H    0.082496  -0.006516  -0.000176  -0.001966  -0.007243   0.163166
    17  H    0.108336   0.004047   0.001743  -0.000688  -0.045816  -0.034997
    18  H   -0.356990  -0.010596  -0.029937   0.023982   0.139035   0.006152
    19  H   -0.358066   0.132762   0.030751  -0.132737  -0.019893   0.000332
    20  H   -0.814873   0.046597   0.008348  -0.034870   0.002193   0.000176
    21  H   -0.085155  -1.426593   0.167155  -0.122445   0.005938   0.000063
    22  H   -0.231285   0.020908   0.232965  -0.093919  -0.000089   0.000136
    23  H    0.066405  -0.098806   0.140389   0.085716   0.002210  -0.000129
    24  H   -0.090253   0.311458   0.158316  -0.098906  -0.013592   0.002132
    25  H   -0.051194  -0.243053  -0.086866   0.396928   0.001049   0.000078
    26  H   -0.191836   0.241139  -0.040494   0.131063   0.000161  -0.000014
    27  H    0.091182   0.231300   0.053815   0.071504  -0.001139  -0.000003
    28  H   -0.007751   0.003067  -0.000651   0.000016  -1.523767   0.186039
    29  C   -0.057722  -0.003833   0.000419   0.000535   0.810203  -0.039590
    30  H    0.000009  -0.000029   0.000030   0.000004   0.021875  -0.067599
    31  H   -0.013756   0.003454  -0.001383   0.000211   0.659592  -0.114968
    32  H   -0.008490   0.000208  -0.000896   0.000092  -0.249558   0.051658
    33  H    0.001759  -0.000579   0.000187  -0.000033  -0.506077   0.016028
              13         14         15         16         17         18
     1  C   -0.059949  -0.047314  -4.341931   1.597171  -0.247152   0.158024
     2  C   -0.005971   0.011240   2.504263  -1.150184   0.074760   0.733726
     3  C    0.132867   0.105420   1.488626  -4.610632   0.136985  -0.224792
     4  C   -0.069336   0.008879  -1.324263   2.072183   0.687733   0.194670
     5  C    0.003545  -0.010299   0.065931   0.510112  -2.895159   1.052957
     6  C    0.008014   0.017738   0.545330  -0.007327   1.279374  -2.682565
     7  C   -0.001457   0.000918  -0.129880   0.082496   0.108336  -0.356990
     8  C    0.000295  -0.000171   0.041247  -0.006516   0.004047  -0.010596
     9  C   -0.000053  -0.000025   0.015132  -0.000176   0.001743  -0.029937
    10  C    0.000020   0.000001   0.029145  -0.001966  -0.000688   0.023982
    11  C    0.064864   0.073892  -0.013943  -0.007243  -0.045816   0.139035
    12  C    0.082612  -0.258945  -0.001952   0.163166  -0.034997   0.006152
    13  O    8.432788  -0.002371  -0.000699  -0.042929   0.003554  -0.000123
    14  O   -0.002371   8.375414  -0.000470  -0.016926   0.013252  -0.000334
    15  H   -0.000699  -0.000470   3.657552  -0.360796   0.001061  -0.020340
    16  H   -0.042929  -0.016926  -0.360796   3.846786  -0.029605   0.004098
    17  H    0.003554   0.013252   0.001061  -0.029605   3.347376  -0.358336
    18  H   -0.000123  -0.000334  -0.020340   0.004098  -0.358336   3.414037
    19  H   -0.000013  -0.000055   0.001148   0.001690   0.021788  -0.145737
    20  H   -0.000127  -0.000029  -0.065912   0.006104  -0.005667   0.035360
    21  H    0.000017  -0.000007  -0.062751   0.003014   0.001258   0.000295
    22  H    0.000001   0.000003  -0.010829   0.001784   0.002356  -0.021125
    23  H   -0.000009  -0.000012   0.003430  -0.000820  -0.001379   0.007992
    24  H   -0.000090   0.000043   0.021242  -0.005374   0.000464  -0.006925
    25  H   -0.000002   0.000002   0.004865  -0.000454  -0.000705   0.013362
    26  H    0.000006   0.000004   0.012604   0.000111   0.000057   0.000837
    27  H    0.000003  -0.000001  -0.004830   0.000171   0.000215  -0.003929
    28  H   -0.002868  -0.039239   0.003287  -0.015992  -0.165503   0.005013
    29  C    0.000203   0.004325   0.003699   0.038254   0.016058   0.011678
    30  H   -0.036898   0.303965  -0.000021   0.002104  -0.000701  -0.000011
    31  H    0.017668   0.007335  -0.004097   0.014711  -0.009306   0.004968
    32  H    0.010263  -0.008416   0.005058  -0.078664   0.008539  -0.001092
    33  H    0.001873   0.001920  -0.000889   0.013041   0.003514   0.000008
              19         20         21         22         23         24
     1  C   -0.775855   0.899982   0.237077  -0.062469  -0.055470   0.062009
     2  C   -0.574125  -0.286149  -0.207732  -0.110301   0.072736  -0.041790
     3  C   -0.077553   0.220209   0.018791   0.017515  -0.000438   0.037398
     4  C   -0.027793   0.195967   0.072627  -0.004272  -0.004917   0.041645
     5  C    0.432291  -0.257633   0.004043   0.070925   0.024805  -0.110993
     6  C    0.722904  -0.382251   0.071492   0.153669  -0.030332   0.021521
     7  C   -0.358066  -0.814873  -0.085155  -0.231285   0.066405  -0.090253
     8  C    0.132762   0.046597  -1.426593   0.020908  -0.098806   0.311458
     9  C    0.030751   0.008348   0.167155   0.232965   0.140389   0.158316
    10  C   -0.132737  -0.034870  -0.122445  -0.093919   0.085716  -0.098906
    11  C   -0.019893   0.002193   0.005938  -0.000089   0.002210  -0.013592
    12  C    0.000332   0.000176   0.000063   0.000136  -0.000129   0.002132
    13  O   -0.000013  -0.000127   0.000017   0.000001  -0.000009  -0.000090
    14  O   -0.000055  -0.000029  -0.000007   0.000003  -0.000012   0.000043
    15  H    0.001148  -0.065912  -0.062751  -0.010829   0.003430   0.021242
    16  H    0.001690   0.006104   0.003014   0.001784  -0.000820  -0.005374
    17  H    0.021788  -0.005667   0.001258   0.002356  -0.001379   0.000464
    18  H   -0.145737   0.035360   0.000295  -0.021125   0.007992  -0.006925
    19  H    2.659299  -0.442164   0.101202   0.032731   0.006584  -0.017189
    20  H   -0.442164   2.427893   0.013158   0.010116  -0.010981   0.026662
    21  H    0.101202   0.013158   2.896528   0.131046  -0.057463  -0.073867
    22  H    0.032731   0.010116   0.131046   1.686790  -0.391631  -0.282125
    23  H    0.006584  -0.010981  -0.057463  -0.391631   2.024897  -0.522466
    24  H   -0.017189   0.026662  -0.073867  -0.282125  -0.522466   1.845508
    25  H   -0.054213  -0.008773   0.115815   0.003754  -0.014287   0.002434
    26  H    0.007720  -0.067291  -0.090285  -0.000709   0.029747  -0.021537
    27  H    0.014850   0.026295  -0.094249  -0.022554  -0.027476   0.023468
    28  H   -0.001477   0.000118  -0.000245  -0.000404   0.000298  -0.000234
    29  C   -0.002427  -0.000120   0.000402   0.000305   0.000927  -0.004493
    30  H    0.000044  -0.000034  -0.000029  -0.000001   0.000002   0.000012
    31  H   -0.000902  -0.000131   0.000633   0.000064  -0.000074  -0.003521
    32  H   -0.000132  -0.000175  -0.000245  -0.000128   0.000043  -0.000852
    33  H    0.000130   0.000125   0.000102   0.000084   0.000052   0.000593
              25         26         27         28         29         30
     1  C    0.069888  -0.119736  -0.009493  -0.044076   0.044233   0.008587
     2  C    0.084771   0.203871  -0.124236   0.021356  -0.172722   0.000598
     3  C   -0.010000   0.010884   0.003574  -0.141576  -0.689647  -0.024586
     4  C    0.009936  -0.002232  -0.006515   0.692082  -0.654850   0.031973
     5  C   -0.000939   0.017834  -0.005829   0.076080   0.309101  -0.006098
     6  C   -0.026298   0.053956  -0.009967  -0.027104   0.068815  -0.002638
     7  C   -0.051194  -0.191836   0.091182  -0.007751  -0.057722   0.000009
     8  C   -0.243053   0.241139   0.231300   0.003067  -0.003833  -0.000029
     9  C   -0.086866  -0.040494   0.053815  -0.000651   0.000419   0.000030
    10  C    0.396928   0.131063   0.071504   0.000016   0.000535   0.000004
    11  C    0.001049   0.000161  -0.001139  -1.523767   0.810203   0.021875
    12  C    0.000078  -0.000014  -0.000003   0.186039  -0.039590  -0.067599
    13  O   -0.000002   0.000006   0.000003  -0.002868   0.000203  -0.036898
    14  O    0.000002   0.000004  -0.000001  -0.039239   0.004325   0.303965
    15  H    0.004865   0.012604  -0.004830   0.003287   0.003699  -0.000021
    16  H   -0.000454   0.000111   0.000171  -0.015992   0.038254   0.002104
    17  H   -0.000705   0.000057   0.000215  -0.165503   0.016058  -0.000701
    18  H    0.013362   0.000837  -0.003929   0.005013   0.011678  -0.000011
    19  H   -0.054213   0.007720   0.014850  -0.001477  -0.002427   0.000044
    20  H   -0.008773  -0.067291   0.026295   0.000118  -0.000120  -0.000034
    21  H    0.115815  -0.090285  -0.094249  -0.000245   0.000402  -0.000029
    22  H    0.003754  -0.000709  -0.022554  -0.000404   0.000305  -0.000001
    23  H   -0.014287   0.029747  -0.027476   0.000298   0.000927   0.000002
    24  H    0.002434  -0.021537   0.023468  -0.000234  -0.004493   0.000012
    25  H    1.578271  -0.267370  -0.379998   0.000044   0.000114   0.000001
    26  H   -0.267370   1.707063  -0.425104   0.000036   0.000173   0.000000
    27  H   -0.379998  -0.425104   1.785287  -0.000035  -0.000174   0.000000
    28  H    0.000044   0.000036  -0.000035   2.464944   0.029756   0.006189
    29  C    0.000114   0.000173  -0.000174   0.029756   4.816976   0.009481
    30  H    0.000001   0.000000   0.000000   0.006189   0.009481   0.576764
    31  H    0.000069   0.000030  -0.000047  -0.028626   0.124898  -0.000978
    32  H    0.000015  -0.000007  -0.000031   0.078576   0.610913   0.003195
    33  H    0.000002   0.000010  -0.000015   0.005121  -0.268585   0.000630
              31         32         33
     1  C   -0.004393  -0.032360  -0.003562
     2  C   -0.057011  -0.066240   0.046474
     3  C    0.040510  -0.329665   0.121604
     4  C   -0.674826  -0.018312   0.889879
     5  C    0.160741   0.139575  -0.216751
     6  C    0.050815   0.041624  -0.027109
     7  C   -0.013756  -0.008490   0.001759
     8  C    0.003454   0.000208  -0.000579
     9  C   -0.001383  -0.000896   0.000187
    10  C    0.000211   0.000092  -0.000033
    11  C    0.659592  -0.249558  -0.506077
    12  C   -0.114968   0.051658   0.016028
    13  O    0.017668   0.010263   0.001873
    14  O    0.007335  -0.008416   0.001920
    15  H   -0.004097   0.005058  -0.000889
    16  H    0.014711  -0.078664   0.013041
    17  H   -0.009306   0.008539   0.003514
    18  H    0.004968  -0.001092   0.000008
    19  H   -0.000902  -0.000132   0.000130
    20  H   -0.000131  -0.000175   0.000125
    21  H    0.000633  -0.000245   0.000102
    22  H    0.000064  -0.000128   0.000084
    23  H   -0.000074   0.000043   0.000052
    24  H   -0.003521  -0.000852   0.000593
    25  H    0.000069   0.000015   0.000002
    26  H    0.000030  -0.000007   0.000010
    27  H   -0.000047  -0.000031  -0.000015
    28  H   -0.028626   0.078576   0.005121
    29  C    0.124898   0.610913  -0.268585
    30  H   -0.000978   0.003195   0.000630
    31  H    1.676497  -0.298846  -0.356066
    32  H   -0.298846   1.632052  -0.321063
    33  H   -0.356066  -0.321063   1.842398
 Mulliken charges:
               1
     1  C    0.655112
     2  C    1.286020
     3  C    1.172954
     4  C    0.588011
     5  C    0.085034
     6  C   -0.090922
     7  C    1.576252
     8  C   -0.713157
     9  C    1.113540
    10  C    1.046758
    11  C    0.236910
    12  C    0.926612
    13  O   -0.535701
    14  O   -0.539732
    15  H   -1.060017
    16  H   -1.021394
    17  H   -0.917455
    18  H   -0.943361
    19  H   -0.535895
    20  H   -0.542123
    21  H   -0.619589
    22  H   -0.133312
    23  H   -0.249542
    24  H   -0.260700
    25  H   -0.137244
    26  H   -0.190686
    27  H   -0.186041
    28  H   -0.572474
    29  C    0.992693
    30  H    0.174162
    31  H   -0.193265
    32  H   -0.166641
    33  H   -0.244806
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.404905
     2  C    1.286020
     3  C    0.151560
     4  C    0.588011
     5  C   -0.832421
     6  C   -1.034283
     7  C    0.498234
     8  C   -1.332746
     9  C    0.469986
    10  C    0.532786
    11  C   -0.335564
    12  C    0.926612
    13  O   -0.535701
    14  O   -0.365570
    29  C    0.387982
 Electronic spatial extent (au):  <R**2>=           4744.3907
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.0622    Y=              0.3814    Z=              1.1948  Tot=              1.6435
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -90.0274   YY=            -89.2819   ZZ=            -92.2809
   XY=              1.6105   XZ=              6.4677   YZ=              0.2243
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.5027   YY=              1.2482   ZZ=             -1.7508
   XY=              1.6105   XZ=              6.4677   YZ=              0.2243
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             30.2567  YYY=            -15.4135  ZZZ=              3.5214  XYY=             28.3721
  XXY=             -8.9336  XXZ=             30.3339  XZZ=             -8.5309  YZZ=              2.7336
  YYZ=              1.4197  XYZ=             -8.9900
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -5202.0118 YYYY=           -592.9277 ZZZZ=           -516.9028 XXXY=            -97.2644
 XXXZ=            150.4966 YYYX=            -60.3607 YYYZ=            -10.1148 ZZZX=              1.4822
 ZZZY=             10.8196 XXYY=           -889.9762 XXZZ=          -1007.4455 YYZZ=           -190.8685
 XXYZ=            -53.8229 YYXZ=             30.6321 ZZXY=              5.5933
 N-N= 9.705181462157D+02 E-N=-3.468178667810D+03  KE= 6.526019680690D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Wed Sep  8 16:54:57 2021, MaxMem=  6442450944 cpu:               5.2 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-3.95197388D-01 1.16479224D-01 4.67266297D-01
 Polarizability= 2.07637691D+02 8.59182934D+00 1.29803752D+02
                -3.67801499D+00 6.80300155D+00 1.42111099D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        2.1593    2.1609        4.5707    4.5701
 2     -2.1593   -2.1609       -3.4989   -3.4992      -40.8768  -40.8749
 3     -4.5707   -4.5701       34.4672   34.4619        3.4967    3.4992
 4      3.4989    3.4992        0.0000    0.0000       -4.5710   -4.5701
 5      6.4096    6.4130        4.5710    4.5701        2.1618    2.1609
 6     -3.4967   -3.4992       -2.1618   -2.1609        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -6.4827   -6.4827       13.7104   13.7104
 2     10.4976   10.4976        0.0000    0.0000       13.7104   13.7104
 3     10.4976   10.4976       -6.4827   -6.4827        0.0000    0.0000
 4     -6.4827   -6.4827      -10.4976  -10.4976     -122.6248 -122.6248
 5    -13.7104  -13.7104      103.3857  103.3857       10.4976   10.4976
 6     19.2391   19.2391       13.7104   13.7104        6.4827    6.4827
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.3652    0.0000       -7.8495   -8.6436      -19.5325  -18.2805
 2      8.1826    8.6436       14.1324   13.9968      163.2129  163.4998
 3     18.1562   18.2805     -137.7498 -137.8476      -14.4246  -13.9968
 4    -13.7747  -13.9968        0.2078    0.0000       17.9716   18.2805
 5    -25.8132  -25.6522      -18.4733  -18.2805       -8.4437   -8.6436
 6     14.1876   13.9968        8.6014    8.6436        0.1879    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.3860    0.0000       20.5325   20.3960       42.2070   42.3886
 2    -21.2691  -20.3960       19.1006   18.8049       43.2411   42.5887
 3    -42.2768  -42.3886        3.0594    3.8565      -17.9329  -18.8049
 4    -19.1610  -18.8049       -0.0386    0.0000      -42.0592  -42.3886
 5    -45.9616  -46.4452       42.2774   42.3886       20.4487   20.3960
 6     18.7928   18.8049      -20.5934  -20.3960       -0.0082    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     20.1634   20.1019       25.4372   25.2763      -23.2494  -23.1966
 2    -24.9709  -24.6912       77.4961   76.9609      -23.0692  -23.1966
 3    -24.8665  -24.6912       25.7089   25.2763      -51.7854  -51.9565
 4    -51.6093  -51.6846       44.5803   44.7931       45.9370   45.8367
 5    -28.7114  -28.7599       33.1303   33.7598      -44.6648  -44.7931
 6    -79.0797  -79.5966       29.1385   28.7599       51.8591   51.6846
 Full mass-weighted force constant matrix:
 Low frequencies ---   -4.2480   -1.2187   -0.0003    0.0004    0.0007    1.8638
 Low frequencies ---   24.3249   38.3693   46.1605
 Diagonal vibrational polarizability:
       40.5311553      25.9089100       8.2901328
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     24.2900                38.3680                46.1577
 Red. masses --      3.6983                 6.7213                 4.7057
 Frc consts  --      0.0013                 0.0058                 0.0059
 IR Inten    --      0.1945                 1.3119                 0.6384
 RamAct Fr= 1--      0.2781                 1.1022                 1.8290
  Dep-P Fr= 1--      0.7039                 0.7498                 0.7460
  Dep-U Fr= 1--      0.8262                 0.8570                 0.8545
 Alpha2 Fr= 1--      0.0002                 0.0000                 0.0001
 Beta2  Fr= 1--      0.0383                 0.1574                 0.2605
 AlphaG Fr= 1--     -0.0009                 0.0003                 0.0014
 Gamma2 Fr= 1--      0.2894                -0.9363                 0.1080
 Delta2 Fr= 1--      0.2121                -0.2508                -0.8421
 Raman1 Fr= 1--       1.112                  4.409                  7.316
 ROA1   Fr= 1--      34.572                -97.909                -16.583
 CID1   Fr= 1--      31.082                -22.207                 -2.267
 Raman2 Fr= 1--       0.459                  1.889                  3.126
 ROA2   Fr= 1--       5.249                -20.464                  9.328
 CID2   Fr= 1--      11.425                -10.832                  2.984
 Raman3 Fr= 1--       0.919                  3.779                  6.252
 ROA3   Fr= 1--      34.572                -97.909                -16.583
 CID3   Fr= 1--      37.621                -25.912                 -2.653
 RC180  Fr= 1--       0.652                  0.714                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.05  -0.10    -0.01  -0.09   0.02     0.04  -0.23   0.06
     2   6     0.01  -0.02  -0.08    -0.03  -0.08   0.00    -0.01  -0.09  -0.00
     3   6    -0.00   0.07  -0.10    -0.01  -0.10   0.03     0.04  -0.22   0.06
     4   6    -0.00   0.03  -0.07    -0.03  -0.09   0.03    -0.02  -0.07   0.00
     5   6     0.00  -0.04  -0.06    -0.03  -0.10   0.03    -0.06   0.05  -0.05
     6   6     0.01  -0.06  -0.06    -0.04  -0.09   0.01    -0.05   0.04  -0.05
     7   6     0.02  -0.04  -0.09    -0.05  -0.01  -0.04    -0.03  -0.03  -0.03
     8   6    -0.02   0.05   0.06     0.02   0.07  -0.03     0.03   0.08   0.02
     9   6    -0.05  -0.02   0.25     0.10   0.05   0.01     0.08   0.04   0.13
    10   6    -0.01   0.02   0.01    -0.01   0.15  -0.08     0.00   0.15  -0.04
    11   6    -0.00   0.03  -0.06    -0.05  -0.02   0.03    -0.04   0.00  -0.03
    12   6     0.00   0.00   0.08     0.02   0.04  -0.00     0.04   0.06  -0.01
    13   8     0.03  -0.10   0.12    -0.22  -0.10  -0.04     0.21   0.17   0.01
    14   8    -0.03   0.10   0.14     0.40   0.26   0.03    -0.09  -0.02  -0.02
    15   1     0.00   0.08  -0.12    -0.01  -0.09   0.01     0.07  -0.33   0.10
    16   1    -0.01   0.11  -0.11     0.00  -0.10   0.04     0.07  -0.31   0.10
    17   1     0.00  -0.07  -0.04    -0.04  -0.09   0.03    -0.10   0.16  -0.10
    18   1     0.02  -0.11  -0.05    -0.05  -0.09   0.01    -0.09   0.14  -0.10
    19   1     0.05  -0.18  -0.08    -0.07  -0.03  -0.05    -0.04  -0.08  -0.04
    20   1     0.02   0.01  -0.22    -0.09   0.01  -0.08    -0.07   0.00  -0.11
    21   1    -0.05   0.20   0.05     0.05   0.07  -0.02     0.05   0.14   0.03
    22   1    -0.03  -0.17   0.27     0.08   0.05   0.00     0.07  -0.02   0.13
    23   1    -0.08   0.04   0.36     0.14   0.10   0.02     0.11   0.11   0.17
    24   1    -0.06   0.00   0.29     0.12  -0.01   0.04     0.09   0.00   0.17
    25   1     0.01  -0.13   0.02    -0.04   0.15  -0.09    -0.02   0.09  -0.05
    26   1     0.00   0.08  -0.13    -0.06   0.17  -0.11    -0.04   0.18  -0.12
    27   1    -0.04   0.09   0.12     0.04   0.21  -0.08     0.04   0.23  -0.01
    28   1    -0.04   0.11  -0.07    -0.06  -0.01   0.02    -0.05   0.04  -0.03
    29   6     0.05  -0.05  -0.13    -0.12  -0.00   0.02    -0.13   0.00  -0.05
    30   1    -0.03   0.07   0.23     0.42   0.28   0.02    -0.02   0.02  -0.01
    31   1     0.04  -0.04  -0.23    -0.18  -0.05   0.02    -0.18  -0.04  -0.04
    32   1     0.10  -0.13  -0.12    -0.10  -0.02   0.03    -0.14  -0.03  -0.04
    33   1     0.05  -0.05  -0.11    -0.14   0.07   0.03    -0.15   0.06  -0.08
                      4                      5                      6
                      A                      A                      A
 Frequencies --     50.3115                70.4612                95.1085
 Red. masses --      3.1810                 3.1549                 5.4221
 Frc consts  --      0.0047                 0.0092                 0.0289
 IR Inten    --      0.2198                 0.0953                 0.1841
 RamAct Fr= 1--      2.1682                 1.6423                 2.4834
  Dep-P Fr= 1--      0.7308                 0.7313                 0.6382
  Dep-U Fr= 1--      0.8445                 0.8448                 0.7792
 Alpha2 Fr= 1--      0.0007                 0.0005                 0.0050
 Beta2  Fr= 1--      0.3052                 0.2312                 0.3225
 AlphaG Fr= 1--     -0.0015                 0.0004                 0.0025
 Gamma2 Fr= 1--     -0.3211                 0.1881                 0.0323
 Delta2 Fr= 1--     -0.1206                 0.5415                 0.0889
 Raman1 Fr= 1--       8.673                  6.569                  9.934
 ROA1   Fr= 1--     -34.682                 35.386                  5.942
 CID1   Fr= 1--      -3.999                  5.387                  0.598
 Raman2 Fr= 1--       3.662                  2.775                  3.870
 ROA2   Fr= 1--      -6.740                  0.182                  0.064
 CID2   Fr= 1--      -1.841                  0.066                  0.016
 Raman3 Fr= 1--       7.324                  5.550                  7.740
 ROA3   Fr= 1--     -34.682                 35.386                  5.942
 CID3   Fr= 1--      -4.735                  6.376                  0.768
 RC180  Fr= 1--       0.689                  0.690                  0.558
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.04  -0.05     0.05  -0.05  -0.06    -0.07   0.08  -0.04
     2   6    -0.00  -0.06  -0.01    -0.00   0.01  -0.11    -0.06   0.10  -0.03
     3   6    -0.04   0.06  -0.05     0.06  -0.05  -0.02    -0.03  -0.04  -0.02
     4   6    -0.02  -0.01  -0.02     0.00   0.01  -0.02     0.03  -0.13   0.00
     5   6     0.01  -0.13   0.03    -0.06   0.09  -0.08     0.04  -0.11   0.01
     6   6     0.02  -0.15   0.03    -0.06   0.09  -0.13     0.00   0.00  -0.00
     7   6    -0.01  -0.04  -0.00     0.01  -0.04  -0.11    -0.07   0.13   0.02
     8   6     0.01  -0.03  -0.01    -0.08  -0.02   0.01    -0.14   0.04  -0.00
     9   6     0.19   0.02  -0.15     0.02  -0.01  -0.01    -0.23   0.06  -0.05
    10   6    -0.05   0.10   0.16    -0.09   0.00   0.23    -0.11  -0.06   0.05
    11   6    -0.03   0.03  -0.02     0.02  -0.02   0.06     0.02  -0.10  -0.00
    12   6    -0.00   0.04   0.03     0.01  -0.02   0.02     0.16  -0.00   0.01
    13   8     0.08   0.05   0.05    -0.03  -0.01   0.01     0.29   0.08   0.03
    14   8    -0.07   0.04   0.05     0.06  -0.02   0.01     0.19   0.01   0.01
    15   1    -0.05   0.10  -0.08     0.10  -0.10  -0.05    -0.11   0.15  -0.06
    16   1    -0.06   0.14  -0.08     0.11  -0.10   0.03    -0.06  -0.04  -0.04
    17   1     0.03  -0.19   0.05    -0.11   0.14  -0.09     0.07  -0.18   0.03
    18   1     0.04  -0.23   0.06    -0.11   0.14  -0.17     0.03   0.01   0.01
    19   1    -0.01  -0.01  -0.00     0.05  -0.13  -0.09    -0.04   0.18   0.03
    20   1    -0.04  -0.04   0.02     0.03  -0.01  -0.17    -0.07   0.10   0.09
    21   1    -0.08  -0.16  -0.05    -0.22  -0.04  -0.05    -0.17   0.03  -0.01
    22   1     0.30   0.16  -0.12     0.20   0.00   0.05    -0.26   0.07  -0.06
    23   1     0.17   0.01  -0.15    -0.09  -0.03   0.09    -0.26   0.00  -0.09
    24   1     0.22  -0.06  -0.30     0.02  -0.01  -0.20    -0.26   0.12  -0.05
    25   1     0.03   0.26   0.20     0.05   0.05   0.29    -0.07  -0.07   0.07
    26   1    -0.18   0.05   0.29    -0.17  -0.01   0.27    -0.05  -0.07   0.08
    27   1    -0.03   0.09   0.14    -0.17  -0.01   0.30    -0.17  -0.12   0.06
    28   1    -0.05   0.06  -0.03    -0.01  -0.08   0.09    -0.01  -0.08  -0.00
    29   6    -0.05   0.00  -0.05     0.08   0.04   0.14    -0.05  -0.08  -0.00
    30   1    -0.05   0.04   0.08     0.06  -0.01  -0.02     0.32   0.10   0.02
    31   1    -0.08  -0.01  -0.09     0.08   0.04   0.16    -0.11  -0.13  -0.01
    32   1    -0.02  -0.03  -0.05     0.10   0.10   0.11    -0.01  -0.10  -0.00
    33   1    -0.06   0.03  -0.05     0.08   0.02   0.19    -0.07  -0.01   0.01
                      7                      8                      9
                      A                      A                      A
 Frequencies --    178.2726               202.2722               221.8914
 Red. masses --      3.1070                 3.0324                 1.0863
 Frc consts  --      0.0582                 0.0731                 0.0315
 IR Inten    --      0.0958                 0.3701                 0.0980
 RamAct Fr= 1--      0.7392                 0.2758                 0.2831
  Dep-P Fr= 1--      0.5532                 0.7022                 0.1861
  Dep-U Fr= 1--      0.7124                 0.8250                 0.3138
 Alpha2 Fr= 1--      0.0028                 0.0002                 0.0040
 Beta2  Fr= 1--      0.0878                 0.0379                 0.0148
 AlphaG Fr= 1--     -0.0078                -0.0012                -0.0005
 Gamma2 Fr= 1--      0.2672                 0.4439                 0.1876
 Delta2 Fr= 1--      0.1593                 0.3453                 0.1021
 Raman1 Fr= 1--       2.957                  1.103                  1.133
 ROA1   Fr= 1--      30.748                 53.662                 21.281
 CID1   Fr= 1--      10.400                 48.637                 18.790
 Raman2 Fr= 1--       1.053                  0.455                  0.178
 ROA2   Fr= 1--       5.138                  7.891                  3.686
 CID2   Fr= 1--       4.879                 17.338                 20.746
 Raman3 Fr= 1--       2.106                  0.910                  0.355
 ROA3   Fr= 1--      30.748                 53.662                 21.281
 CID3   Fr= 1--      14.599                 58.950                 59.888
 RC180  Fr= 1--       0.425                  0.650                 -0.372
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11  -0.04  -0.00     0.05  -0.10  -0.02    -0.01   0.03  -0.00
     2   6    -0.05  -0.06   0.05     0.05  -0.03  -0.03    -0.00   0.02   0.00
     3   6    -0.12   0.00  -0.10     0.06  -0.12  -0.04    -0.01   0.01  -0.00
     4   6    -0.06   0.02  -0.14     0.05  -0.06  -0.06    -0.00  -0.01   0.00
     5   6    -0.02   0.04  -0.11     0.08  -0.10  -0.04    -0.00   0.02  -0.00
     6   6    -0.00   0.00  -0.01     0.09  -0.08  -0.02    -0.01   0.03  -0.00
     7   6    -0.06  -0.04   0.14     0.02   0.10   0.03     0.01  -0.01   0.00
     8   6     0.01  -0.04   0.06    -0.01   0.07   0.01     0.01  -0.01   0.00
     9   6     0.05  -0.03   0.02    -0.11   0.09  -0.04     0.03  -0.02   0.02
    10   6    -0.01   0.04  -0.06     0.03  -0.03   0.05     0.01  -0.00  -0.01
    11   6    -0.03  -0.03  -0.03     0.01   0.05  -0.02    -0.00  -0.01   0.01
    12   6     0.01  -0.01  -0.01    -0.03   0.03  -0.01     0.00  -0.01   0.00
    13   8     0.08   0.00   0.01    -0.07  -0.05   0.01    -0.01   0.00  -0.00
    14   8     0.04   0.04   0.02    -0.11   0.06   0.03     0.01  -0.02  -0.01
    15   1    -0.15  -0.06   0.03     0.03  -0.12  -0.00    -0.02   0.04  -0.00
    16   1    -0.17  -0.00  -0.14     0.05  -0.14  -0.03    -0.01   0.01  -0.00
    17   1     0.02   0.06  -0.15     0.11  -0.12  -0.04     0.00   0.02  -0.01
    18   1     0.05   0.02   0.02     0.10  -0.08  -0.01    -0.01   0.04  -0.00
    19   1    -0.03   0.07   0.15     0.06   0.19   0.05     0.00  -0.02   0.00
    20   1    -0.11  -0.07   0.23    -0.07   0.08   0.11     0.03  -0.01  -0.00
    21   1     0.10  -0.08   0.09    -0.01   0.06   0.01     0.02  -0.01   0.00
    22   1    -0.10   0.03  -0.03    -0.31   0.14  -0.12     0.13  -0.04   0.06
    23   1     0.19   0.01  -0.09    -0.00   0.06  -0.20    -0.05  -0.02   0.09
    24   1     0.08  -0.10   0.15    -0.12   0.10   0.13     0.02   0.01  -0.08
    25   1    -0.13   0.12  -0.11     0.10  -0.14   0.08    -0.03   0.08  -0.03
    26   1    -0.03   0.02  -0.01     0.08   0.00  -0.03     0.02  -0.04   0.07
    27   1     0.10   0.05  -0.17    -0.06  -0.03   0.15     0.04  -0.05  -0.09
    28   1    -0.12  -0.12   0.02    -0.05  -0.00   0.01    -0.01  -0.00   0.01
    29   6     0.18   0.07   0.12    -0.01   0.14   0.08    -0.03  -0.02  -0.00
    30   1     0.10   0.07   0.04    -0.19  -0.02   0.08     0.00  -0.02  -0.03
    31   1     0.21   0.09   0.11    -0.21   0.00   0.01    -0.42  -0.24  -0.33
    32   1     0.33   0.19   0.04     0.24   0.16   0.01     0.49  -0.20  -0.05
    33   1     0.20   0.00   0.33    -0.08   0.34   0.29    -0.16   0.37   0.36
                     10                     11                     12
                      A                      A                      A
 Frequencies --    229.0970               240.5552               252.6460
 Red. masses --      1.0975                 2.8311                 1.1559
 Frc consts  --      0.0339                 0.0965                 0.0435
 IR Inten    --      0.2882                 0.8810                 0.0444
 RamAct Fr= 1--      0.0672                 2.1264                 0.3122
  Dep-P Fr= 1--      0.7328                 0.2090                 0.7239
  Dep-U Fr= 1--      0.8458                 0.3457                 0.8399
 Alpha2 Fr= 1--      0.0000                 0.0282                 0.0001
 Beta2  Fr= 1--      0.0095                 0.1225                 0.0437
 AlphaG Fr= 1--     -0.0004                -0.0047                 0.0033
 Gamma2 Fr= 1--     -0.1727                -0.1380                -0.4654
 Delta2 Fr= 1--     -0.0079                 0.0793                -0.1957
 Raman1 Fr= 1--       0.269                  8.506                  1.249
 ROA1   Fr= 1--     -16.834                -10.708                -50.944
 CID1   Fr= 1--     -62.596                 -1.259                -40.791
 Raman2 Fr= 1--       0.114                  1.470                  0.524
 ROA2   Fr= 1--      -4.083                 -3.945                 -9.605
 CID2   Fr= 1--     -35.895                 -2.683                -18.314
 Raman3 Fr= 1--       0.227                  2.941                  1.049
 ROA3   Fr= 1--     -16.834                -10.708                -50.944
 CID3   Fr= 1--     -74.006                 -3.641                -48.569
 RC180  Fr= 1--       0.692                 -0.309                  0.680
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.00     0.05  -0.08   0.06    -0.02  -0.03   0.03
     2   6     0.01   0.00  -0.00    -0.01  -0.07   0.02    -0.01  -0.01   0.03
     3   6     0.01  -0.02  -0.01     0.04  -0.01   0.07    -0.02  -0.02   0.01
     4   6     0.01  -0.01  -0.01     0.01   0.07   0.04    -0.01   0.00  -0.01
     5   6     0.02  -0.02  -0.01    -0.01  -0.03   0.05     0.00  -0.02   0.01
     6   6     0.02  -0.01  -0.00    -0.00  -0.09   0.04     0.00  -0.02   0.03
     7   6     0.00   0.01   0.00    -0.04  -0.02  -0.04    -0.02   0.02   0.00
     8   6    -0.00   0.01   0.00    -0.07   0.01  -0.02    -0.01   0.02  -0.02
     9   6    -0.03   0.00   0.03    -0.10   0.01  -0.02     0.01   0.02  -0.02
    10   6    -0.00   0.01  -0.03    -0.09   0.06   0.00     0.01  -0.02  -0.02
    11   6     0.00   0.01  -0.01     0.03   0.07   0.01    -0.01   0.01  -0.01
    12   6    -0.00   0.00  -0.01    -0.01   0.05   0.01    -0.01   0.01  -0.01
    13   8    -0.00  -0.02   0.00    -0.05   0.10  -0.02     0.00   0.01  -0.01
    14   8    -0.02   0.02   0.01     0.02  -0.01  -0.04    -0.00   0.02  -0.00
    15   1     0.00  -0.02   0.00     0.11  -0.11   0.05    -0.03  -0.04   0.04
    16   1     0.01  -0.03  -0.01     0.05  -0.01   0.08    -0.03  -0.03   0.00
    17   1     0.03  -0.03  -0.01    -0.05  -0.03   0.08     0.02  -0.02   0.00
    18   1     0.02  -0.01   0.00    -0.00  -0.13   0.05     0.02  -0.02   0.04
    19   1     0.01   0.01   0.00    -0.05  -0.07  -0.05    -0.05   0.05  -0.01
    20   1     0.00   0.02  -0.00    -0.05   0.00  -0.10    -0.03   0.01   0.02
    21   1     0.00   0.02   0.01    -0.08   0.01  -0.02    -0.01   0.02  -0.02
    22   1     0.26  -0.07   0.13    -0.23   0.02  -0.07     0.44  -0.03   0.14
    23   1    -0.29  -0.06   0.22    -0.03   0.01  -0.10    -0.34  -0.07   0.25
    24   1    -0.08   0.13  -0.25    -0.10   0.01   0.10    -0.05   0.16  -0.44
    25   1    -0.19   0.42  -0.09    -0.15   0.25  -0.01     0.12  -0.34   0.01
    26   1     0.06  -0.16   0.38    -0.13  -0.01   0.16     0.01   0.10  -0.32
    27   1     0.12  -0.23  -0.40    -0.03   0.00  -0.13    -0.09   0.13   0.24
    28   1     0.00  -0.01  -0.01     0.04   0.12  -0.01    -0.02   0.00  -0.01
    29   6    -0.01   0.03   0.02     0.22  -0.06  -0.10     0.06   0.00  -0.00
    30   1    -0.03   0.00   0.03    -0.00  -0.00  -0.09     0.00   0.02   0.00
    31   1     0.07   0.06   0.11     0.20  -0.01  -0.37     0.08   0.03  -0.03
    32   1    -0.11   0.09   0.02     0.44  -0.22  -0.09     0.10   0.01  -0.01
    33   1     0.02  -0.04  -0.05     0.23  -0.09   0.07     0.07  -0.03   0.05
                     13                     14                     15
                      A                      A                      A
 Frequencies --    287.8819               323.1799               348.5909
 Red. masses --      3.6294                 2.9641                 3.2217
 Frc consts  --      0.1772                 0.1824                 0.2307
 IR Inten    --      0.6678                 0.6833                 1.0830
 RamAct Fr= 1--      2.1165                 0.4916                 2.0681
  Dep-P Fr= 1--      0.0772                 0.6655                 0.7049
  Dep-U Fr= 1--      0.1434                 0.7992                 0.8269
 Alpha2 Fr= 1--      0.0392                 0.0007                 0.0016
 Beta2  Fr= 1--      0.0506                 0.0655                 0.2850
 AlphaG Fr= 1--      0.0157                 0.0014                 0.0051
 Gamma2 Fr= 1--      0.0886                -0.1588                 0.2707
 Delta2 Fr= 1--     -0.0377                -0.3157                -0.2022
 Raman1 Fr= 1--       8.466                  1.966                  8.272
 ROA1   Fr= 1--       7.298                -25.352                 19.518
 CID1   Fr= 1--       0.862                -12.892                  2.359
 Raman2 Fr= 1--       0.607                  0.786                  3.420
 ROA2   Fr= 1--       2.429                 -1.286                  8.115
 CID2   Fr= 1--       4.002                 -1.637                  2.373
 Raman3 Fr= 1--       1.214                  1.571                  6.840
 ROA3   Fr= 1--       7.298                -25.352                 19.518
 CID3   Fr= 1--       6.013                -16.132                  2.853
 RC180  Fr= 1--      -0.713                  0.598                  0.654
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.03  -0.08     0.03   0.03  -0.08    -0.07   0.07   0.02
     2   6     0.01  -0.04  -0.05     0.02   0.04  -0.07    -0.05   0.18   0.00
     3   6    -0.04  -0.01  -0.07     0.07  -0.04  -0.04    -0.01  -0.15   0.03
     4   6    -0.07  -0.02  -0.04     0.07  -0.05  -0.03     0.02  -0.13  -0.00
     5   6    -0.06  -0.01  -0.05     0.06  -0.03  -0.05     0.06  -0.11   0.02
     6   6    -0.03  -0.03  -0.05     0.06   0.02  -0.08     0.00   0.08   0.03
     7   6     0.04   0.07   0.04    -0.00   0.03   0.15    -0.02   0.07  -0.07
     8   6     0.10   0.09   0.04    -0.05  -0.09   0.05    -0.04  -0.01  -0.08
     9   6     0.02   0.11   0.01     0.01  -0.08   0.01     0.15  -0.07   0.06
    10   6     0.19  -0.11   0.06    -0.12   0.08  -0.07    -0.02  -0.09   0.00
    11   6    -0.09  -0.02   0.08     0.04   0.04   0.07    -0.02  -0.00  -0.01
    12   6    -0.06   0.02   0.09     0.01   0.05   0.09    -0.03   0.05  -0.01
    13   8    -0.09   0.17   0.03    -0.11   0.10   0.03    -0.05   0.07  -0.02
    14   8     0.05  -0.06   0.01     0.01  -0.07   0.02    -0.06   0.07   0.01
    15   1    -0.04  -0.03  -0.07     0.04   0.06  -0.09    -0.14   0.08   0.05
    16   1    -0.01   0.01  -0.06     0.07  -0.06  -0.03    -0.02  -0.25   0.04
    17   1    -0.05   0.00  -0.06     0.06  -0.03  -0.05     0.13  -0.16   0.02
    18   1    -0.06  -0.04  -0.07     0.06   0.04  -0.08     0.04   0.12   0.04
    19   1     0.08   0.14   0.06     0.13   0.28   0.20    -0.08   0.04  -0.10
    20   1    -0.08   0.06   0.08    -0.06  -0.07   0.41     0.13   0.05  -0.07
    21   1     0.12   0.10   0.05     0.00  -0.15   0.07    -0.09   0.02  -0.10
    22   1     0.01   0.14   0.00     0.12  -0.07   0.05     0.08  -0.15   0.04
    23   1    -0.02   0.05  -0.03    -0.06  -0.09   0.07     0.35   0.17   0.11
    24   1    -0.01   0.17  -0.01     0.01  -0.09  -0.10     0.24  -0.31   0.21
    25   1     0.18  -0.05   0.06    -0.20  -0.01  -0.11     0.02  -0.04   0.02
    26   1     0.41  -0.17   0.22    -0.26   0.15  -0.25     0.07  -0.13   0.10
    27   1     0.08  -0.33  -0.04     0.03   0.29  -0.02    -0.09  -0.21  -0.04
    28   1    -0.17   0.03   0.08    -0.04   0.10   0.06    -0.06   0.00  -0.01
    29   6     0.02  -0.14  -0.02    -0.03  -0.04  -0.02     0.10  -0.02  -0.00
    30   1     0.11   0.02  -0.11    -0.08  -0.09  -0.08    -0.08   0.05   0.06
    31   1     0.12  -0.04  -0.11    -0.01  -0.02  -0.03     0.19   0.06  -0.04
    32   1    -0.03  -0.23   0.03    -0.14  -0.12   0.03     0.13   0.00  -0.02
    33   1     0.06  -0.27  -0.07    -0.03  -0.04  -0.16     0.14  -0.14   0.06
                     16                     17                     18
                      A                      A                      A
 Frequencies --    385.3789               411.0532               418.5925
 Red. masses --      2.6684                 3.0932                 2.8294
 Frc consts  --      0.2335                 0.3079                 0.2921
 IR Inten    --      0.3486                 3.2350                 0.0460
 RamAct Fr= 1--      0.6036                 4.1492                 0.1253
  Dep-P Fr= 1--      0.0917                 0.1527                 0.3939
  Dep-U Fr= 1--      0.1680                 0.2649                 0.5652
 Alpha2 Fr= 1--      0.0108                 0.0637                 0.0009
 Beta2  Fr= 1--      0.0169                 0.1832                 0.0118
 AlphaG Fr= 1--     -0.0036                -0.0380                 0.0138
 Gamma2 Fr= 1--     -0.3080                -0.0086                -0.2009
 Delta2 Fr= 1--     -0.0668                 0.1830                -0.0034
 Raman1 Fr= 1--       2.414                 16.597                  0.501
 ROA1   Fr= 1--     -31.707                  5.034                -19.398
 CID1   Fr= 1--     -13.133                  0.303                -38.705
 Raman2 Fr= 1--       0.203                  2.198                  0.142
 ROA2   Fr= 1--      -6.858                 -1.669                 -4.795
 CID2   Fr= 1--     -33.820                 -0.759                -33.860
 Raman3 Fr= 1--       0.406                  4.396                  0.283
 ROA3   Fr= 1--     -31.707                  5.034                -19.398
 CID3   Fr= 1--     -78.182                  1.145                -68.484
 RC180  Fr= 1--      -0.664                 -0.470                  0.130
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.00   0.08     0.00   0.07  -0.08    -0.07   0.18  -0.06
     2   6     0.03   0.04   0.12     0.03   0.03  -0.06    -0.01  -0.00   0.02
     3   6    -0.06  -0.02  -0.09     0.03  -0.05   0.05     0.05  -0.18   0.07
     4   6    -0.00  -0.04  -0.10    -0.03  -0.08   0.08     0.01  -0.02  -0.01
     5   6     0.09  -0.00  -0.06    -0.05  -0.01   0.06    -0.04   0.17  -0.08
     6   6     0.07   0.07   0.08    -0.05   0.02  -0.03     0.06  -0.16   0.08
     7   6     0.07  -0.08  -0.09     0.08  -0.02   0.05     0.00  -0.05  -0.01
     8   6     0.07  -0.03  -0.06     0.12  -0.06  -0.00    -0.01   0.01   0.05
     9   6    -0.10  -0.04  -0.04    -0.09  -0.07  -0.02    -0.00   0.04  -0.02
    10   6     0.02   0.10   0.03     0.08   0.12   0.04    -0.01  -0.01  -0.01
    11   6    -0.03  -0.02   0.01    -0.06  -0.07  -0.00     0.01   0.01  -0.00
    12   6    -0.01   0.01   0.06    -0.06  -0.01  -0.09     0.01   0.01   0.01
    13   8    -0.06   0.07   0.03     0.03   0.01  -0.07    -0.01   0.00   0.01
    14   8     0.02  -0.04   0.03    -0.08   0.15  -0.01     0.00  -0.01   0.00
    15   1    -0.15  -0.04   0.15    -0.00   0.14  -0.12    -0.14   0.39  -0.14
    16   1    -0.13  -0.03  -0.14     0.10  -0.05   0.09     0.09  -0.38   0.14
    17   1     0.21  -0.01  -0.12    -0.07   0.01   0.06    -0.10   0.38  -0.17
    18   1     0.15   0.12   0.12    -0.12  -0.01  -0.07     0.13  -0.35   0.17
    19   1    -0.08  -0.35  -0.15     0.13   0.11   0.08     0.00  -0.20  -0.02
    20   1     0.24   0.00  -0.34     0.05  -0.06   0.18     0.03   0.00  -0.16
    21   1     0.04   0.00  -0.07     0.16  -0.08   0.01    -0.01   0.01   0.05
    22   1    -0.17  -0.13  -0.06    -0.14  -0.17  -0.03     0.01   0.14  -0.02
    23   1    -0.19  -0.15  -0.05    -0.24  -0.23  -0.03    -0.00  -0.01  -0.07
    24   1    -0.17   0.13   0.02    -0.20   0.18   0.02     0.00   0.04  -0.07
    25   1     0.13   0.17   0.08     0.15   0.19   0.07    -0.06  -0.05  -0.04
    26   1    -0.17   0.10   0.03    -0.15   0.14   0.01     0.04  -0.00  -0.04
    27   1     0.05   0.20   0.11     0.16   0.27   0.11     0.02  -0.01  -0.04
    28   1    -0.13   0.00   0.03     0.02  -0.13  -0.00    -0.01   0.02  -0.00
    29   6    -0.03  -0.02   0.01     0.05  -0.09   0.04     0.00   0.01  -0.01
    30   1     0.02  -0.02  -0.04     0.04   0.17   0.17    -0.02  -0.02  -0.02
    31   1    -0.02  -0.02   0.04     0.11  -0.02  -0.03     0.00   0.01   0.01
    32   1    -0.07  -0.02   0.02     0.13  -0.07   0.02    -0.01   0.02  -0.00
    33   1    -0.03  -0.03  -0.02     0.08  -0.19   0.15     0.00   0.02  -0.01
                     19                     20                     21
                      A                      A                      A
 Frequencies --    424.6792               478.2506               511.3029
 Red. masses --      2.0767                 3.8604                 3.0577
 Frc consts  --      0.2207                 0.5202                 0.4710
 IR Inten    --      0.6577                11.4353                 1.6194
 RamAct Fr= 1--      0.3885                 1.0357                 0.5593
  Dep-P Fr= 1--      0.4121                 0.2165                 0.5863
  Dep-U Fr= 1--      0.5836                 0.3559                 0.7392
 Alpha2 Fr= 1--      0.0028                 0.0135                 0.0017
 Beta2  Fr= 1--      0.0378                 0.0614                 0.0689
 AlphaG Fr= 1--     -0.0109                -0.0005                -0.0019
 Gamma2 Fr= 1--     -0.0729                -0.1833                 0.0326
 Delta2 Fr= 1--     -0.0076                 0.1900                 0.1430
 Raman1 Fr= 1--       1.554                  4.143                  2.237
 ROA1   Fr= 1--      -7.244                -11.519                  7.709
 CID1   Fr= 1--      -4.661                 -2.781                  3.446
 Raman2 Fr= 1--       0.453                  0.737                  0.827
 ROA2   Fr= 1--      -1.690                 -5.920                 -0.361
 CID2   Fr= 1--      -3.727                 -8.029                 -0.437
 Raman3 Fr= 1--       0.907                  1.475                  1.654
 ROA3   Fr= 1--      -7.244                -11.519                  7.709
 CID3   Fr= 1--      -7.987                 -7.812                  4.662
 RC180  Fr= 1--       0.167                 -0.288                  0.478
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01  -0.00    -0.10   0.06  -0.02     0.02  -0.04  -0.03
     2   6     0.00   0.02  -0.01    -0.12   0.00  -0.03     0.03   0.18  -0.08
     3   6     0.01   0.01  -0.01    -0.05  -0.06   0.06     0.01  -0.07   0.01
     4   6     0.02  -0.06   0.02     0.04  -0.09   0.05    -0.13   0.12  -0.03
     5   6     0.03  -0.07   0.02    -0.06  -0.12   0.02    -0.02  -0.04   0.08
     6   6    -0.02   0.08  -0.03    -0.13   0.06  -0.08    -0.01  -0.01   0.04
     7   6     0.03  -0.11   0.01    -0.06  -0.08   0.03     0.10   0.03   0.00
     8   6    -0.04   0.00   0.19     0.10  -0.02   0.02     0.01  -0.04   0.07
     9   6     0.01   0.11  -0.04    -0.03  -0.01  -0.01     0.00  -0.02  -0.01
    10   6    -0.03  -0.03  -0.04     0.13   0.04   0.04    -0.01   0.01  -0.01
    11   6     0.00  -0.02   0.01     0.08   0.13  -0.04    -0.13   0.03  -0.08
    12   6    -0.00   0.01  -0.02     0.11   0.07   0.06    -0.10  -0.04   0.03
    13   8    -0.01   0.02  -0.02    -0.02  -0.06   0.05     0.04  -0.03   0.08
    14   8    -0.04   0.05   0.00     0.06  -0.10  -0.01     0.06  -0.09  -0.03
    15   1     0.01  -0.01   0.01    -0.08   0.12  -0.07     0.05  -0.25   0.08
    16   1    -0.01   0.05  -0.03    -0.09  -0.06   0.03     0.15  -0.24   0.14
    17   1     0.04  -0.11   0.04    -0.13  -0.13   0.06     0.08  -0.25   0.15
    18   1    -0.04   0.15  -0.06    -0.15   0.15  -0.11    -0.01  -0.25   0.08
    19   1     0.09  -0.48   0.02    -0.07  -0.10   0.03     0.19  -0.06   0.03
    20   1     0.12   0.00  -0.32    -0.06  -0.06  -0.01     0.22   0.04  -0.03
    21   1    -0.01  -0.01   0.20     0.17  -0.03   0.04     0.00  -0.04   0.07
    22   1     0.04   0.42  -0.04    -0.08  -0.04  -0.03    -0.00   0.07  -0.01
    23   1     0.03  -0.04  -0.21    -0.12  -0.14  -0.05     0.01  -0.07  -0.07
    24   1     0.03   0.07  -0.20    -0.10   0.16   0.01     0.00  -0.01  -0.04
    25   1    -0.25  -0.15  -0.14     0.20   0.07   0.07    -0.11  -0.00  -0.06
    26   1     0.10   0.02  -0.16     0.07   0.04   0.06    -0.05   0.04  -0.08
    27   1     0.08   0.00  -0.13     0.11   0.06   0.08     0.09   0.10  -0.04
    28   1     0.01  -0.03   0.01     0.03   0.24  -0.06    -0.12   0.06  -0.09
    29   6     0.02  -0.03   0.01     0.06   0.18  -0.11    -0.00   0.09  -0.05
    30   1    -0.05   0.02   0.07    -0.27  -0.26  -0.21     0.40   0.19  -0.20
    31   1     0.04  -0.01  -0.01     0.07   0.18  -0.08     0.03   0.11  -0.02
    32   1     0.03  -0.04   0.01     0.04   0.20  -0.12     0.06   0.19  -0.10
    33   1     0.03  -0.06   0.02     0.06   0.17  -0.12     0.02   0.03   0.08
                     22                     23                     24
                      A                      A                      A
 Frequencies --    590.5269               617.6282               641.8112
 Red. masses --      2.0771                 1.7256                 3.4231
 Frc consts  --      0.4268                 0.3878                 0.8308
 IR Inten    --     47.1145                64.6213                21.7729
 RamAct Fr= 1--      1.4205                 0.8233                 3.3660
  Dep-P Fr= 1--      0.2244                 0.7486                 0.6224
  Dep-U Fr= 1--      0.3666                 0.8562                 0.7673
 Alpha2 Fr= 1--      0.0181                 0.0000                 0.0078
 Beta2  Fr= 1--      0.0868                 0.1175                 0.4304
 AlphaG Fr= 1--      0.0016                 0.0009                -0.0316
 Gamma2 Fr= 1--     -0.3117                -1.1359                -0.2886
 Delta2 Fr= 1--      0.1961                -0.5717                 0.0982
 Raman1 Fr= 1--       5.682                  3.293                 13.464
 ROA1   Fr= 1--     -23.644               -127.341                -24.567
 CID1   Fr= 1--      -4.161                -38.669                 -1.825
 Raman2 Fr= 1--       1.042                  1.410                  5.165
 ROA2   Fr= 1--      -9.048                -22.688                 -7.713
 CID2   Fr= 1--      -8.687                -16.093                 -1.493
 Raman3 Fr= 1--       2.083                  2.820                 10.331
 ROA3   Fr= 1--     -23.644               -127.341                -24.567
 CID3   Fr= 1--     -11.350                -45.162                 -2.378
 RC180  Fr= 1--      -0.267                  0.712                  0.535
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02  -0.03    -0.01   0.03   0.03    -0.08  -0.07  -0.07
     2   6     0.08  -0.12   0.05    -0.08   0.02  -0.02     0.01   0.00  -0.06
     3   6     0.01   0.00   0.00     0.01   0.00   0.05    -0.12   0.02   0.10
     4   6     0.02  -0.14   0.07     0.06   0.07  -0.02    -0.02   0.03   0.05
     5   6     0.03   0.02   0.05     0.03  -0.03  -0.04     0.07   0.08   0.10
     6   6     0.02   0.04   0.00     0.01  -0.00  -0.06     0.08  -0.02  -0.06
     7   6     0.02   0.01  -0.01    -0.08  -0.05   0.02     0.02   0.00  -0.02
     8   6    -0.02   0.02  -0.02     0.02   0.00  -0.00     0.00  -0.00   0.00
     9   6    -0.00   0.01   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   6    -0.04  -0.01  -0.01     0.04   0.01   0.01    -0.00   0.00  -0.00
    11   6    -0.07  -0.01  -0.09     0.09  -0.01   0.00     0.03  -0.12  -0.15
    12   6    -0.08  -0.03   0.03    -0.03  -0.06  -0.00     0.02  -0.11   0.01
    13   8    -0.02   0.02   0.04    -0.03   0.04  -0.04    -0.05   0.14  -0.09
    14   8    -0.00  -0.05   0.00    -0.06  -0.02   0.05     0.06  -0.02   0.17
    15   1    -0.07   0.30  -0.14     0.08  -0.06   0.03    -0.01  -0.12  -0.08
    16   1    -0.02   0.28  -0.08    -0.01  -0.13   0.07    -0.04   0.04   0.14
    17   1    -0.03   0.27  -0.07     0.01  -0.15   0.04     0.03   0.04   0.15
    18   1    -0.09   0.30  -0.12     0.09  -0.06   0.00     0.03  -0.11  -0.08
    19   1     0.01   0.06  -0.01    -0.10  -0.06   0.01     0.04  -0.03  -0.01
    20   1    -0.05  -0.00   0.04    -0.08  -0.03  -0.02     0.03   0.01  -0.04
    21   1    -0.06   0.03  -0.03     0.06  -0.01   0.02    -0.01   0.00  -0.00
    22   1     0.01  -0.00   0.01    -0.01  -0.01  -0.00     0.00   0.00  -0.00
    23   1     0.02   0.06   0.03    -0.02  -0.03  -0.01     0.00  -0.01  -0.01
    24   1     0.01  -0.02   0.00    -0.02   0.04   0.00     0.00  -0.00  -0.00
    25   1    -0.04  -0.01  -0.01     0.09   0.01   0.03    -0.01   0.00  -0.01
    26   1    -0.03  -0.02  -0.00     0.05  -0.00   0.03    -0.01   0.00  -0.01
    27   1    -0.05  -0.03  -0.01     0.00  -0.02   0.03     0.01   0.01  -0.00
    28   1    -0.05   0.06  -0.12     0.13  -0.03  -0.00     0.07  -0.05  -0.18
    29   6     0.02   0.07  -0.06     0.00   0.01  -0.00     0.01   0.04  -0.05
    30   1     0.51   0.31  -0.05     0.72   0.44   0.23    -0.42  -0.40   0.36
    31   1     0.07   0.10   0.02    -0.08  -0.07   0.06    -0.05  -0.07   0.20
    32   1     0.10   0.25  -0.14    -0.06   0.00   0.01     0.04   0.32  -0.15
    33   1     0.04   0.01   0.11    -0.04   0.13  -0.08    -0.02   0.13   0.09
                     25                     26                     27
                      A                      A                      A
 Frequencies --    665.4485               715.1362               762.7542
 Red. masses --      5.2377                 3.3623                 3.7028
 Frc consts  --      1.3665                 1.0131                 1.2693
 IR Inten    --      6.7686                31.7334                 5.1818
 RamAct Fr= 1--      4.7456                 1.8896                13.9571
  Dep-P Fr= 1--      0.5433                 0.1378                 0.0370
  Dep-U Fr= 1--      0.7041                 0.2423                 0.0714
 Alpha2 Fr= 1--      0.0188                 0.0301                 0.2843
 Beta2  Fr= 1--      0.5569                 0.0763                 0.1661
 AlphaG Fr= 1--     -0.0165                 0.0189                 0.1295
 Gamma2 Fr= 1--      0.0293                 1.0886                -0.0908
 Delta2 Fr= 1--     -0.4076                 0.1045                -0.3812
 Raman1 Fr= 1--      18.982                  7.558                 55.829
 ROA1   Fr= 1--     -10.230                107.849                -20.916
 CID1   Fr= 1--      -0.539                 14.269                 -0.375
 Raman2 Fr= 1--       6.682                  0.916                  1.994
 ROA2   Fr= 1--       3.964                 25.290                  0.870
 CID2   Fr= 1--       0.593                 27.619                  0.436
 Raman3 Fr= 1--      13.365                  1.831                  3.988
 ROA3   Fr= 1--     -10.230                107.849                -20.916
 CID3   Fr= 1--      -0.765                 58.890                 -5.245
 RC180  Fr= 1--       0.408                 -0.515                 -0.857
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.19  -0.10  -0.13    -0.07  -0.13  -0.03    -0.07   0.07  -0.11
     2   6    -0.01  -0.04  -0.07     0.04   0.08  -0.03     0.13  -0.18   0.08
     3   6    -0.20  -0.01   0.14    -0.12   0.02  -0.06     0.00  -0.14  -0.02
     4   6     0.01   0.04   0.07    -0.02  -0.10   0.04    -0.11   0.18  -0.08
     5   6     0.21   0.10   0.11    -0.09   0.05   0.02     0.01  -0.08   0.10
     6   6     0.23   0.01  -0.17    -0.05  -0.07   0.08    -0.05   0.14   0.03
     7   6    -0.02  -0.03  -0.01     0.14   0.11  -0.04     0.09  -0.04   0.00
     8   6    -0.00   0.01  -0.02     0.00  -0.02   0.04     0.00   0.02  -0.06
     9   6    -0.00   0.00  -0.00     0.00  -0.03  -0.00    -0.00   0.07   0.01
    10   6     0.01   0.00  -0.00    -0.02  -0.00   0.00    -0.08  -0.03  -0.02
    11   6    -0.02   0.08   0.11     0.11   0.05   0.07     0.04   0.05   0.07
    12   6    -0.02   0.12   0.01     0.20   0.06  -0.01     0.08  -0.02  -0.03
    13   8     0.04  -0.10   0.10    -0.05  -0.03  -0.08     0.00  -0.01  -0.07
    14   8    -0.03   0.02  -0.14    -0.08  -0.04   0.04    -0.01  -0.02   0.05
    15   1    -0.11  -0.09  -0.18    -0.18  -0.14   0.03    -0.22   0.22  -0.12
    16   1    -0.15  -0.01   0.17    -0.16   0.15  -0.11     0.11  -0.34   0.10
    17   1     0.13   0.09   0.15    -0.14   0.21  -0.05     0.15  -0.32   0.16
    18   1     0.19   0.00  -0.19    -0.14  -0.12   0.03    -0.17   0.24  -0.06
    19   1    -0.05  -0.13  -0.03     0.19   0.04  -0.02     0.06   0.09  -0.00
    20   1     0.01   0.01  -0.12     0.22   0.11  -0.05    -0.02  -0.08   0.13
    21   1     0.01   0.01  -0.01    -0.07   0.00   0.01    -0.04   0.04  -0.07
    22   1    -0.00  -0.02  -0.00     0.01   0.02  -0.00    -0.00  -0.00   0.01
    23   1    -0.01   0.01   0.01     0.02  -0.03  -0.03    -0.00   0.12   0.06
    24   1    -0.00   0.00   0.00     0.01  -0.06  -0.02    -0.00   0.07   0.05
    25   1     0.04   0.01   0.01    -0.13  -0.00  -0.05    -0.03  -0.01   0.00
    26   1     0.01  -0.00   0.02    -0.06   0.02  -0.06    -0.10  -0.04   0.01
    27   1    -0.02  -0.02   0.01     0.10   0.08  -0.04    -0.11  -0.05   0.00
    28   1    -0.04   0.03   0.13     0.05   0.06   0.08     0.00  -0.01   0.10
    29   6    -0.01  -0.05   0.07     0.03   0.03  -0.01     0.01   0.02   0.01
    30   1     0.14   0.22  -0.38     0.46   0.25   0.26     0.09  -0.02   0.23
    31   1     0.03   0.02  -0.13    -0.01   0.02  -0.08    -0.05   0.01  -0.11
    32   1    -0.03  -0.28   0.15    -0.04  -0.11   0.06    -0.08  -0.18   0.10
    33   1     0.01  -0.12  -0.04     0.01   0.09  -0.17    -0.01   0.09  -0.18
                     28                     29                     30
                      A                      A                      A
 Frequencies --    798.3050               827.4627               838.5757
 Red. masses --      2.3871                 3.2115                 2.7485
 Frc consts  --      0.8963                 1.2956                 1.1388
 IR Inten    --     17.1934                 9.4053                 0.7559
 RamAct Fr= 1--      7.6319                 6.4792                24.9161
  Dep-P Fr= 1--      0.0716                 0.1769                 0.0426
  Dep-U Fr= 1--      0.1336                 0.3006                 0.0818
 Alpha2 Fr= 1--      0.1432                 0.0935                 0.5009
 Beta2  Fr= 1--      0.1700                 0.3246                 0.3396
 AlphaG Fr= 1--      0.0709                 0.0303                 0.1761
 Gamma2 Fr= 1--      2.2747                -1.4794                 1.2356
 Delta2 Fr= 1--      1.4164                -0.8129                 0.1498
 Raman1 Fr= 1--      30.528                 25.917                 99.664
 ROA1   Fr= 1--     263.694               -168.034                123.406
 CID1   Fr= 1--       8.638                 -6.484                  1.238
 Raman2 Fr= 1--       2.040                  3.895                  4.075
 ROA2   Fr= 1--      43.261                -29.003                 28.455
 CID2   Fr= 1--      21.206                 -7.446                  6.982
 Raman3 Fr= 1--       4.080                  7.790                  8.151
 ROA3   Fr= 1--     263.694               -168.034                123.406
 CID3   Fr= 1--      64.630                -21.571                 15.141
 RC180  Fr= 1--      -0.733                 -0.399                 -0.836
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02  -0.04     0.05   0.02  -0.01    -0.03   0.03   0.07
     2   6     0.00   0.02  -0.01    -0.00  -0.06   0.01     0.02  -0.08   0.03
     3   6     0.02   0.05  -0.05     0.06  -0.01   0.00    -0.05   0.00   0.09
     4   6    -0.02  -0.08   0.03    -0.06   0.08  -0.04     0.03   0.06  -0.03
     5   6     0.00   0.09   0.03     0.04   0.00   0.05    -0.05  -0.02  -0.06
     6   6    -0.00   0.05   0.03     0.03   0.02   0.01    -0.06   0.01  -0.05
     7   6    -0.03  -0.14   0.05    -0.14   0.10  -0.04     0.12   0.06  -0.06
     8   6     0.01   0.01  -0.08    -0.05   0.02   0.10     0.01  -0.01   0.02
     9   6     0.01   0.10   0.02    -0.02  -0.17  -0.04     0.00  -0.00   0.01
    10   6    -0.05  -0.02  -0.03     0.11   0.05   0.04    -0.02  -0.02   0.01
    11   6    -0.05  -0.05  -0.06    -0.10  -0.02  -0.06     0.11  -0.10  -0.12
    12   6     0.15   0.11   0.03     0.20   0.10   0.01     0.02   0.10   0.06
    13   8    -0.05  -0.02  -0.00    -0.04  -0.03  -0.04    -0.04   0.01   0.10
    14   8    -0.04  -0.02  -0.01    -0.03  -0.04   0.02    -0.03   0.04  -0.08
    15   1     0.14  -0.34   0.11     0.05   0.17  -0.10    -0.04   0.15   0.01
    16   1     0.17  -0.15   0.09     0.14  -0.01   0.05    -0.12  -0.09   0.07
    17   1     0.15  -0.23   0.14     0.09  -0.01   0.03    -0.05  -0.32   0.10
    18   1     0.10  -0.38   0.19    -0.03   0.19  -0.06    -0.03  -0.08  -0.01
    19   1    -0.04   0.01   0.05    -0.16  -0.07  -0.05     0.16   0.19  -0.04
    20   1    -0.06  -0.18   0.16    -0.22   0.18  -0.22     0.06   0.01   0.08
    21   1     0.10  -0.01  -0.04    -0.09   0.02   0.08    -0.12   0.05  -0.03
    22   1    -0.01  -0.01   0.02     0.03  -0.01  -0.02    -0.01   0.05   0.00
    23   1    -0.03   0.13   0.08     0.04  -0.18  -0.11     0.01  -0.03  -0.03
    24   1    -0.02   0.16   0.09     0.03  -0.29  -0.15    -0.00   0.01  -0.01
    25   1     0.13   0.02   0.05    -0.06  -0.03  -0.04    -0.16  -0.02  -0.05
    26   1    -0.06  -0.06   0.07     0.25   0.09  -0.05    -0.06   0.01  -0.06
    27   1    -0.21  -0.11   0.06     0.21   0.06  -0.06     0.12   0.07  -0.05
    28   1    -0.12   0.09  -0.09    -0.22   0.13  -0.09     0.10   0.03  -0.17
    29   6    -0.02  -0.03   0.00    -0.04  -0.06   0.03     0.02  -0.10   0.02
    30   1     0.12   0.08  -0.02     0.11   0.03   0.09    -0.00   0.13  -0.30
    31   1     0.06   0.01   0.08     0.07   0.02   0.06    -0.11  -0.30   0.42
    32   1     0.07   0.15  -0.09     0.08   0.11  -0.06    -0.03   0.24  -0.09
    33   1     0.02  -0.12   0.19     0.01  -0.20   0.24    -0.05   0.11   0.12
                     31                     32                     33
                      A                      A                      A
 Frequencies --    853.5216               855.2642               875.2763
 Red. masses --      1.3363                 2.8232                 1.9520
 Frc consts  --      0.5736                 1.2167                 0.8811
 IR Inten    --      0.7533                 3.2762                16.2860
 RamAct Fr= 1--      1.6607                 9.9981                 2.5426
  Dep-P Fr= 1--      0.3527                 0.2295                 0.1860
  Dep-U Fr= 1--      0.5214                 0.3734                 0.3137
 Alpha2 Fr= 1--      0.0145                 0.1254                 0.0358
 Beta2  Fr= 1--      0.1443                 0.6222                 0.1329
 AlphaG Fr= 1--     -0.0349                -0.0998                 0.0174
 Gamma2 Fr= 1--     -0.4934                -0.7976                 1.7362
 Delta2 Fr= 1--     -0.5980                -1.0809                 1.5281
 Raman1 Fr= 1--       6.643                 39.992                 10.171
 ROA1   Fr= 1--     -66.500               -111.162                215.575
 CID1   Fr= 1--     -10.011                 -2.780                 21.196
 Raman2 Fr= 1--       1.732                  7.466                  1.595
 ROA2   Fr= 1--      -7.057                -10.496                 29.444
 CID2   Fr= 1--      -4.075                 -1.406                 18.457
 Raman3 Fr= 1--       3.464                 14.932                  3.191
 ROA3   Fr= 1--     -66.500               -111.162                215.575
 CID3   Fr= 1--     -19.199                 -7.444                 67.567
 RC180  Fr= 1--       0.043                 -0.253                 -0.373
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.07  -0.01    -0.03  -0.00  -0.15     0.03  -0.10  -0.02
     2   6    -0.01   0.01  -0.00     0.04  -0.03   0.02    -0.03   0.11  -0.04
     3   6    -0.02   0.06   0.00     0.02   0.01  -0.15     0.05  -0.08  -0.02
     4   6    -0.00   0.03  -0.01    -0.01  -0.05   0.02    -0.04   0.09  -0.04
     5   6     0.02  -0.09   0.02     0.00   0.06   0.11     0.02  -0.02   0.07
     6   6     0.02  -0.08   0.01    -0.04   0.04   0.12    -0.01  -0.03   0.06
     7   6     0.02  -0.01   0.01    -0.09   0.02   0.01    -0.05  -0.05   0.06
     8   6     0.01  -0.01  -0.02    -0.04   0.03   0.03     0.02  -0.02  -0.03
     9   6     0.00   0.03   0.01    -0.02  -0.08  -0.03     0.01   0.05   0.01
    10   6    -0.02  -0.01  -0.01     0.05   0.04   0.01    -0.01  -0.01  -0.03
    11   6    -0.01  -0.01  -0.03     0.16  -0.05  -0.01     0.06  -0.02  -0.05
    12   6     0.03   0.02   0.01    -0.10  -0.01   0.03     0.03   0.03   0.02
    13   8    -0.01  -0.00   0.00     0.00   0.03   0.07    -0.02   0.00   0.02
    14   8    -0.01  -0.00  -0.00    -0.00   0.05  -0.05    -0.01   0.01  -0.02
    15   1     0.14  -0.36   0.17    -0.01  -0.41   0.07    -0.16   0.43  -0.24
    16   1     0.09  -0.35   0.17     0.23  -0.32   0.05    -0.05   0.43  -0.21
    17   1    -0.19   0.49  -0.21     0.10   0.03   0.08    -0.05   0.28  -0.06
    18   1    -0.14   0.47  -0.21    -0.13  -0.01   0.08    -0.13   0.20  -0.06
    19   1     0.03  -0.02   0.01    -0.14  -0.10  -0.00    -0.05  -0.16   0.05
    20   1     0.06  -0.01   0.01    -0.16   0.08  -0.13     0.07  -0.04  -0.02
    21   1     0.04  -0.02  -0.00    -0.01   0.00   0.04     0.15  -0.07   0.02
    22   1    -0.01  -0.00   0.00     0.03  -0.04  -0.01    -0.01  -0.03   0.00
    23   1    -0.01   0.03   0.02     0.02  -0.04  -0.02    -0.02   0.06   0.05
    24   1    -0.00   0.05   0.02     0.02  -0.17  -0.07    -0.01   0.10   0.06
    25   1     0.02   0.01   0.01     0.02  -0.02  -0.00     0.16   0.04   0.05
    26   1    -0.06  -0.02   0.01     0.16   0.04  -0.00    -0.06  -0.04   0.07
    27   1    -0.03  -0.01   0.01     0.03  -0.01  -0.01    -0.14  -0.05   0.06
    28   1    -0.02   0.02  -0.03     0.25  -0.10  -0.01     0.06   0.03  -0.06
    29   6    -0.01  -0.02   0.01     0.06   0.01  -0.02     0.02  -0.06   0.02
    30   1     0.01   0.01  -0.01    -0.05   0.06  -0.19     0.01   0.04  -0.08
    31   1    -0.00  -0.03   0.06    -0.13  -0.19   0.17    -0.08  -0.18   0.21
    32   1     0.00   0.04  -0.01    -0.10   0.04   0.00    -0.05   0.07  -0.01
    33   1    -0.01  -0.02   0.06    -0.03   0.28  -0.20    -0.04   0.10  -0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --    897.5048               936.6433               953.8744
 Red. masses --      1.5127                 1.1976                 1.6482
 Frc consts  --      0.7179                 0.6190                 0.8836
 IR Inten    --      1.9102                 1.8660                 0.3741
 RamAct Fr= 1--      2.1704                 1.2327                 4.5952
  Dep-P Fr= 1--      0.7217                 0.4962                 0.6761
  Dep-U Fr= 1--      0.8383                 0.6633                 0.8068
 Alpha2 Fr= 1--      0.0011                 0.0062                 0.0060
 Beta2  Fr= 1--      0.3033                 0.1363                 0.6179
 AlphaG Fr= 1--     -0.0051                -0.0247                 0.0067
 Gamma2 Fr= 1--      0.7907                 0.2757                 1.3757
 Delta2 Fr= 1--      0.2023                 0.6741                -0.4849
 Raman1 Fr= 1--       8.682                  4.931                 18.381
 ROA1   Fr= 1--      82.382                 48.040                116.553
 CID1   Fr= 1--       9.489                  9.743                  6.341
 Raman2 Fr= 1--       3.639                  1.635                  7.414
 ROA2   Fr= 1--      17.359                  1.224                 36.897
 CID2   Fr= 1--       4.770                  0.749                  4.976
 Raman3 Fr= 1--       7.278                  3.271                 14.829
 ROA3   Fr= 1--      82.382                 48.040                116.553
 CID3   Fr= 1--      11.319                 14.688                  7.860
 RC180  Fr= 1--       0.677                  0.327                  0.614
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01   0.01    -0.00   0.00   0.00    -0.00   0.00   0.02
     2   6    -0.02   0.03  -0.03     0.01  -0.01   0.00     0.02   0.00  -0.00
     3   6    -0.00  -0.01  -0.02    -0.00   0.00   0.01    -0.01  -0.01   0.02
     4   6    -0.01  -0.00  -0.01     0.00  -0.00   0.00    -0.00   0.02  -0.01
     5   6     0.04   0.01   0.04    -0.01   0.00  -0.01     0.02  -0.10   0.02
     6   6     0.01   0.01   0.05     0.00  -0.00  -0.01    -0.03   0.08  -0.03
     7   6    -0.03  -0.09  -0.14     0.02   0.00   0.01     0.07  -0.08   0.03
     8   6     0.00  -0.04   0.02    -0.04  -0.01  -0.01    -0.09   0.06  -0.02
     9   6     0.01   0.02   0.06    -0.07  -0.01   0.04    -0.04  -0.04  -0.04
    10   6     0.03   0.00   0.02     0.05  -0.02  -0.06     0.04   0.08   0.00
    11   6     0.01   0.00   0.00     0.00  -0.00   0.00     0.00   0.01  -0.01
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    13   8     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   8     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    15   1    -0.04   0.01   0.02    -0.00  -0.00   0.01    -0.01  -0.01   0.03
    16   1    -0.03   0.02  -0.04    -0.01  -0.01   0.01    -0.06   0.05  -0.02
    17   1     0.06   0.15  -0.05    -0.00  -0.05   0.01    -0.17   0.48  -0.21
    18   1     0.00   0.05   0.04    -0.01   0.02  -0.02     0.14  -0.47   0.19
    19   1    -0.02   0.50  -0.12     0.03  -0.02   0.02     0.16   0.02   0.06
    20   1    -0.17  -0.28   0.40     0.05  -0.00   0.02     0.04  -0.11   0.12
    21   1    -0.20   0.22  -0.05     0.18   0.29   0.08    -0.14   0.04  -0.04
    22   1    -0.06   0.35   0.02     0.15   0.41   0.10     0.06  -0.09  -0.00
    23   1     0.00  -0.25  -0.21     0.16   0.10  -0.09     0.04   0.14   0.06
    24   1    -0.03   0.12  -0.10     0.09  -0.40  -0.27     0.04  -0.23  -0.05
    25   1    -0.10  -0.02  -0.04     0.38   0.24   0.10     0.04  -0.08  -0.00
    26   1     0.05   0.03  -0.04    -0.32  -0.09   0.13     0.37   0.08   0.01
    27   1     0.14   0.04  -0.05    -0.05   0.08   0.15    -0.11  -0.13  -0.04
    28   1    -0.01  -0.02   0.01     0.00   0.00   0.00    -0.00   0.01  -0.01
    29   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.01
    30   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    31   1    -0.01  -0.01  -0.01     0.00   0.00  -0.00    -0.01  -0.03   0.03
    32   1    -0.02  -0.03   0.02     0.00   0.00  -0.00    -0.01  -0.00   0.01
    33   1    -0.00   0.02  -0.03     0.00  -0.00   0.00    -0.01   0.01  -0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --    962.2554               972.1447               977.0186
 Red. masses --      1.5792                 1.4898                 1.3832
 Frc consts  --      0.8615                 0.8295                 0.7779
 IR Inten    --      0.2341                 0.0678                 0.2151
 RamAct Fr= 1--      1.8954                 2.5034                 0.6461
  Dep-P Fr= 1--      0.6273                 0.6485                 0.6601
  Dep-U Fr= 1--      0.7710                 0.7868                 0.7953
 Alpha2 Fr= 1--      0.0042                 0.0046                 0.0010
 Beta2  Fr= 1--      0.2436                 0.3283                 0.0856
 AlphaG Fr= 1--     -0.0544                -0.0041                 0.0009
 Gamma2 Fr= 1--      0.1294                 0.3993                 0.6756
 Delta2 Fr= 1--      0.0490                 0.2783                -0.1413
 Raman1 Fr= 1--       7.582                 10.014                  2.584
 ROA1   Fr= 1--      13.986                 47.243                 60.337
 CID1   Fr= 1--       1.845                  4.718                 23.347
 Raman2 Fr= 1--       2.923                  3.939                  1.028
 ROA2   Fr= 1--       2.712                  7.357                 17.345
 CID2   Fr= 1--       0.928                  1.868                 16.878
 Raman3 Fr= 1--       5.845                  7.878                  2.055
 ROA3   Fr= 1--      13.986                 47.243                 60.337
 CID3   Fr= 1--       2.393                  5.997                 29.356
 RC180  Fr= 1--       0.542                  0.574                  0.591
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02   0.01    -0.00   0.01  -0.01    -0.03   0.10  -0.05
     2   6     0.00   0.03  -0.02    -0.01   0.00  -0.00     0.01  -0.02   0.01
     3   6    -0.01  -0.03   0.03     0.01  -0.02  -0.00     0.03  -0.11   0.04
     4   6     0.00  -0.01  -0.00    -0.00   0.00  -0.00     0.00   0.02  -0.01
     5   6    -0.03   0.07  -0.04     0.01   0.01   0.01     0.00  -0.01   0.00
     6   6     0.03  -0.09   0.04     0.00  -0.01   0.01    -0.01   0.01   0.00
     7   6     0.05  -0.09   0.02    -0.01  -0.02  -0.01    -0.01   0.03  -0.01
     8   6    -0.08   0.05  -0.02    -0.06  -0.08  -0.03     0.03   0.01   0.01
     9   6    -0.03  -0.03  -0.03    -0.06   0.11  -0.03     0.01  -0.01   0.01
    10   6     0.03   0.09   0.00     0.11  -0.04   0.05    -0.02  -0.02  -0.00
    11   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.01   0.02  -0.01
    12   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   8    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    14   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    15   1     0.02  -0.10   0.07     0.03  -0.08   0.03     0.18  -0.58   0.24
    16   1    -0.08   0.15  -0.06    -0.02   0.09  -0.05    -0.20   0.62  -0.28
    17   1     0.13  -0.42   0.15     0.03  -0.02   0.01    -0.01   0.05  -0.02
    18   1    -0.16   0.51  -0.21    -0.01   0.05  -0.01     0.02  -0.07   0.04
    19   1     0.16   0.03   0.06    -0.03   0.00  -0.01    -0.04   0.01  -0.02
    20   1     0.07  -0.14   0.16    -0.02  -0.04   0.03    -0.04   0.05  -0.05
    21   1    -0.12   0.04  -0.04    -0.21  -0.24  -0.09     0.05   0.04   0.02
    22   1     0.02  -0.07  -0.01     0.11  -0.13   0.05    -0.02   0.04  -0.00
    23   1     0.01   0.07   0.04     0.06   0.49   0.26    -0.01  -0.08  -0.05
    24   1     0.01  -0.13  -0.03     0.06  -0.19   0.09    -0.01   0.04  -0.01
    25   1     0.05  -0.10   0.00    -0.17   0.08  -0.07    -0.01   0.01   0.00
    26   1     0.39   0.07   0.02    -0.16   0.05  -0.14    -0.07  -0.02   0.01
    27   1    -0.17  -0.16  -0.04     0.51   0.28  -0.05    -0.01   0.01   0.01
    28   1    -0.01  -0.01   0.01     0.00   0.01  -0.00     0.01   0.07  -0.03
    29   6     0.00   0.01  -0.00    -0.00  -0.00   0.00    -0.01  -0.02   0.01
    30   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.01
    31   1     0.00   0.01  -0.01    -0.00  -0.00   0.00    -0.00  -0.03   0.05
    32   1     0.00  -0.01   0.00     0.00  -0.00   0.00     0.00   0.02  -0.00
    33   1     0.00   0.00  -0.01    -0.00  -0.00   0.00    -0.01  -0.01   0.03
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1014.2594              1046.1014              1084.3046
 Red. masses --      1.9160                 2.8189                 2.1112
 Frc consts  --      1.1613                 1.8175                 1.4625
 IR Inten    --      2.1426                 4.4598                57.3510
 RamAct Fr= 1--     10.7794                 0.0474                 3.2464
  Dep-P Fr= 1--      0.2574                 0.7338                 0.6425
  Dep-U Fr= 1--      0.4095                 0.8465                 0.7823
 Alpha2 Fr= 1--      0.1251                 0.0000                 0.0063
 Beta2  Fr= 1--      0.7356                 0.0067                 0.4233
 AlphaG Fr= 1--      0.0594                -0.0001                 0.0267
 Gamma2 Fr= 1--     -0.0082                -0.1673                -1.7354
 Delta2 Fr= 1--     -1.6141                 0.1271                 0.5806
 Raman1 Fr= 1--      43.117                  0.189                 12.986
 ROA1   Fr= 1--     -52.438                -11.994               -148.019
 CID1   Fr= 1--      -1.216                -63.298                -11.399
 Raman2 Fr= 1--       8.827                  0.080                  5.080
 ROA2   Fr= 1--      12.715                 -5.032                -46.294
 CID2   Fr= 1--       1.440                -62.751                 -9.114
 Raman3 Fr= 1--      17.655                  0.160                 10.159
 ROA3   Fr= 1--     -52.438                -11.994               -148.019
 CID3   Fr= 1--      -2.970                -74.776                -14.570
 RC180  Fr= 1--      -0.181                  0.693                  0.565
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.05  -0.05    -0.01  -0.08  -0.18    -0.01  -0.01  -0.02
     2   6    -0.00   0.01   0.02     0.03   0.01  -0.00     0.01   0.01   0.04
     3   6    -0.01   0.01  -0.05    -0.04   0.07   0.19     0.02  -0.00  -0.00
     4   6     0.07   0.01   0.03     0.04   0.01  -0.01    -0.05   0.01   0.03
     5   6    -0.00   0.00  -0.02    -0.01  -0.08  -0.17    -0.02  -0.03  -0.04
     6   6    -0.03   0.00   0.04    -0.05   0.06   0.19     0.05   0.00  -0.04
     7   6     0.01  -0.01   0.00    -0.01  -0.00   0.00    -0.00   0.00   0.03
     8   6    -0.00   0.00  -0.01     0.00  -0.00   0.00    -0.01  -0.01  -0.04
     9   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.03
    10   6     0.00   0.01   0.00     0.00  -0.00   0.00     0.01   0.01   0.02
    11   6     0.04   0.18  -0.00    -0.01  -0.02  -0.01    -0.05  -0.05   0.19
    12   6    -0.06  -0.05  -0.03     0.01   0.00   0.01     0.04  -0.07   0.04
    13   8     0.03  -0.00  -0.03    -0.00   0.00   0.01     0.01  -0.01  -0.00
    14   8     0.02  -0.01   0.02    -0.00   0.00  -0.00    -0.02   0.04  -0.09
    15   1    -0.13   0.01  -0.04     0.30  -0.05  -0.36    -0.06  -0.02   0.01
    16   1     0.02  -0.16   0.00     0.21   0.20   0.33     0.16   0.10   0.07
    17   1    -0.00  -0.06   0.02     0.28  -0.04  -0.34    -0.09  -0.01  -0.02
    18   1    -0.01   0.03   0.04     0.20   0.20   0.33     0.19   0.06   0.03
    19   1    -0.03   0.01  -0.01    -0.06   0.00  -0.01    -0.20  -0.03  -0.04
    20   1     0.05  -0.02   0.03    -0.03  -0.00  -0.00     0.19  -0.02   0.02
    21   1    -0.04   0.03  -0.02    -0.00  -0.00  -0.00    -0.12   0.06  -0.07
    22   1    -0.00   0.02   0.00    -0.00   0.01   0.00    -0.02   0.10   0.01
    23   1     0.00  -0.01  -0.01    -0.00  -0.01  -0.00     0.01  -0.07  -0.05
    24   1     0.00  -0.00  -0.01    -0.00   0.01   0.00    -0.01   0.04  -0.03
    25   1    -0.01  -0.01  -0.00    -0.01   0.00  -0.00    -0.05  -0.02  -0.02
    26   1     0.03   0.01  -0.01    -0.00   0.00  -0.00     0.05   0.02  -0.03
    27   1     0.00  -0.01  -0.01     0.01   0.01  -0.00     0.05   0.00  -0.03
    28   1     0.24   0.56  -0.20    -0.07  -0.10   0.03    -0.16   0.29   0.09
    29   6    -0.08  -0.12   0.04    -0.00   0.02   0.01     0.05  -0.01  -0.13
    30   1     0.02  -0.03   0.07    -0.00   0.00  -0.01    -0.01  -0.07   0.29
    31   1     0.11  -0.02   0.22     0.00   0.04  -0.07    -0.03  -0.16   0.31
    32   1     0.13   0.22  -0.12     0.00  -0.06   0.03    -0.03   0.44  -0.27
    33   1    -0.02  -0.28   0.47     0.01  -0.02  -0.04    -0.04   0.27   0.05
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1097.0867              1106.5628              1138.8393
 Red. masses --      1.5807                 1.8056                 2.1587
 Frc consts  --      1.1210                 1.3026                 1.6496
 IR Inten    --      3.6718                52.0604                 6.6869
 RamAct Fr= 1--      1.8733                 4.8754                14.8532
  Dep-P Fr= 1--      0.1904                 0.3141                 0.4681
  Dep-U Fr= 1--      0.3198                 0.4781                 0.6377
 Alpha2 Fr= 1--      0.0261                 0.0479                 0.0845
 Beta2  Fr= 1--      0.0999                 0.3885                 1.5785
 AlphaG Fr= 1--     -0.0083                 0.0320                 0.1070
 Gamma2 Fr= 1--     -1.1026                 1.8581                -1.3708
 Delta2 Fr= 1--      0.2944                 0.9015                -0.7790
 Raman1 Fr= 1--       7.493                 19.501                 59.413
 ROA1   Fr= 1--     -96.429                207.227               -156.526
 CID1   Fr= 1--     -12.869                 10.626                 -2.635
 Raman2 Fr= 1--       1.198                  4.662                 18.942
 ROA2   Fr= 1--     -28.818                 37.382                -26.667
 CID2   Fr= 1--     -24.048                  8.019                 -1.408
 Raman3 Fr= 1--       2.397                  9.323                 37.885
 ROA3   Fr= 1--     -96.429                207.227               -156.526
 CID3   Fr= 1--     -40.235                 22.226                 -4.132
 RC180  Fr= 1--      -0.360                 -0.044                  0.275
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02   0.04     0.01  -0.00  -0.03    -0.02  -0.02  -0.01
     2   6     0.01  -0.01  -0.05     0.01   0.00   0.05    -0.04   0.05  -0.00
     3   6    -0.03   0.02   0.03     0.02   0.01  -0.00     0.03   0.00  -0.01
     4   6    -0.03  -0.06  -0.02    -0.03  -0.04   0.03    -0.01   0.00   0.02
     5   6     0.01   0.02   0.01    -0.03  -0.01  -0.02    -0.02  -0.01  -0.01
     6   6     0.00   0.01   0.02     0.02  -0.01  -0.05     0.03  -0.01  -0.01
     7   6    -0.01  -0.01  -0.05    -0.00   0.02   0.07     0.03  -0.09   0.04
     8   6     0.02   0.02   0.05    -0.03  -0.03  -0.08     0.14   0.19  -0.02
     9   6    -0.01  -0.00  -0.04     0.01   0.00   0.06    -0.05  -0.07  -0.06
    10   6    -0.01  -0.01  -0.02     0.02   0.02   0.03    -0.07  -0.08   0.08
    11   6    -0.06   0.10  -0.01    -0.04   0.08  -0.10    -0.01  -0.00  -0.00
    12   6    -0.02  -0.02  -0.02    -0.03   0.05  -0.04    -0.01   0.02  -0.01
    13   8     0.02  -0.01  -0.03     0.01  -0.01  -0.03     0.00  -0.00  -0.01
    14   8     0.01  -0.01   0.01     0.02  -0.03   0.07     0.00  -0.01   0.02
    15   1     0.13   0.04  -0.02     0.01  -0.02  -0.02    -0.14   0.02   0.03
    16   1    -0.07  -0.06   0.03     0.18   0.06   0.09     0.16   0.08   0.05
    17   1     0.18  -0.02  -0.06    -0.15  -0.06   0.07    -0.14  -0.02   0.06
    18   1    -0.03  -0.00   0.00     0.07  -0.01  -0.02     0.17   0.14   0.05
    19   1     0.25   0.05   0.05    -0.38  -0.10  -0.06    -0.11   0.07  -0.01
    20   1    -0.30   0.01  -0.02     0.42  -0.00   0.01    -0.22  -0.04  -0.00
    21   1     0.16  -0.08   0.10    -0.22   0.09  -0.15     0.11   0.48  -0.02
    22   1     0.03  -0.15  -0.02    -0.05   0.22   0.02     0.11  -0.13  -0.01
    23   1    -0.01   0.09   0.07     0.01  -0.14  -0.11     0.08   0.12   0.01
    24   1     0.01  -0.05   0.05    -0.02   0.08  -0.07     0.05  -0.29  -0.08
    25   1     0.07   0.03   0.02    -0.09  -0.04  -0.03    -0.41  -0.02  -0.07
    26   1    -0.08  -0.03   0.04     0.11   0.05  -0.05    -0.23   0.01  -0.14
    27   1    -0.05   0.00   0.04     0.08   0.00  -0.06     0.20   0.10  -0.05
    28   1    -0.33   0.28  -0.00    -0.11  -0.00  -0.05     0.06  -0.04  -0.00
    29   6     0.10  -0.06   0.02     0.07  -0.04   0.07     0.01  -0.00  -0.00
    30   1     0.00  -0.04   0.08    -0.00   0.02  -0.14    -0.00   0.02  -0.08
    31   1    -0.18  -0.33   0.28    -0.15  -0.21   0.08    -0.01  -0.02   0.01
    32   1    -0.22   0.02   0.07    -0.17  -0.18   0.17    -0.01   0.00   0.00
    33   1    -0.04   0.34  -0.20    -0.01   0.20  -0.23    -0.00   0.02  -0.02
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1148.0429              1161.6356              1193.8493
 Red. masses --      1.5753                 2.0670                 1.7728
 Frc consts  --      1.2233                 1.6434                 1.4887
 IR Inten    --     35.0019               161.4685                 9.4992
 RamAct Fr= 1--      7.3150                 1.3426                 2.7939
  Dep-P Fr= 1--      0.1398                 0.4883                 0.5630
  Dep-U Fr= 1--      0.2453                 0.6562                 0.7204
 Alpha2 Fr= 1--      0.1160                 0.0070                 0.0099
 Beta2  Fr= 1--      0.2991                 0.1468                 0.3355
 AlphaG Fr= 1--      0.0713                -0.0178                 0.0226
 Gamma2 Fr= 1--      1.6028                -1.6977                -1.0802
 Delta2 Fr= 1--      0.8069                -0.7512                 0.4218
 Raman1 Fr= 1--      29.260                  5.370                 11.176
 ROA1   Fr= 1--     179.694               -187.014                -90.202
 CID1   Fr= 1--       6.141                -34.824                 -8.071
 Raman2 Fr= 1--       3.589                  1.762                  4.026
 ROA2   Fr= 1--      32.013                -34.734                -29.300
 CID2   Fr= 1--       8.920                -19.713                 -7.278
 Raman3 Fr= 1--       7.178                  3.524                  8.051
 ROA3   Fr= 1--     179.694               -187.014                -90.202
 CID3   Fr= 1--      25.035                -53.070                -11.203
 RC180  Fr= 1--      -0.509                  0.312                  0.441
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.01   0.00     0.05   0.02   0.01     0.00   0.00  -0.00
     2   6     0.02   0.00   0.01    -0.01  -0.00  -0.01     0.01   0.00   0.01
     3   6     0.04   0.01  -0.01    -0.05  -0.02   0.01    -0.00  -0.00  -0.00
     4   6    -0.04   0.00   0.03    -0.05   0.00   0.00    -0.00  -0.00   0.00
     5   6    -0.06  -0.03  -0.03     0.04   0.00  -0.01    -0.00  -0.00  -0.00
     6   6     0.08   0.02  -0.01    -0.03  -0.01  -0.00     0.00  -0.00  -0.01
     7   6    -0.02   0.01  -0.07     0.00   0.00   0.02    -0.02   0.03  -0.05
     8   6    -0.03  -0.04   0.06     0.00   0.01  -0.02     0.16  -0.11  -0.00
     9   6     0.01   0.02  -0.02    -0.00  -0.00   0.01    -0.11   0.03   0.02
    10   6     0.01   0.02  -0.04    -0.00  -0.00   0.01    -0.08   0.08   0.04
    11   6     0.00  -0.01   0.02    -0.00  -0.03   0.13     0.00   0.00  -0.00
    12   6    -0.02   0.07  -0.04    -0.05   0.13  -0.09    -0.00   0.00  -0.00
    13   8     0.01  -0.01  -0.02     0.02  -0.03  -0.05     0.00  -0.00  -0.00
    14   8     0.01  -0.02   0.07     0.01  -0.04   0.13     0.00  -0.00   0.00
    15   1    -0.36  -0.05   0.18     0.30   0.04  -0.13     0.03   0.00  -0.02
    16   1     0.29   0.15   0.12    -0.24  -0.10  -0.10    -0.01  -0.01  -0.00
    17   1    -0.29  -0.05   0.09     0.33   0.05  -0.19    -0.02  -0.00   0.01
    18   1     0.42   0.19   0.17    -0.17  -0.09  -0.08    -0.01  -0.02  -0.01
    19   1     0.20   0.08   0.01    -0.04  -0.03   0.01    -0.22   0.11  -0.12
    20   1    -0.16  -0.01   0.02     0.05   0.01  -0.01     0.04   0.00  -0.00
    21   1     0.07  -0.18   0.10    -0.02   0.03  -0.02     0.35  -0.25   0.07
    22   1    -0.01  -0.10  -0.02    -0.00   0.03   0.00     0.20   0.21   0.13
    23   1    -0.04   0.05   0.06     0.01  -0.02  -0.02     0.16   0.30   0.04
    24   1    -0.00   0.05   0.08    -0.00  -0.00  -0.02     0.05  -0.33  -0.10
    25   1     0.18   0.03   0.04    -0.04  -0.01  -0.01    -0.16  -0.27  -0.01
    26   1     0.01  -0.03   0.08     0.00   0.01  -0.02     0.34   0.08   0.01
    27   1    -0.11  -0.03   0.05     0.03   0.01  -0.01    -0.20  -0.22  -0.12
    28   1     0.19  -0.10   0.00     0.29  -0.15   0.10     0.00  -0.00  -0.00
    29   6     0.01  -0.01  -0.02     0.01  -0.02  -0.09     0.00  -0.00   0.00
    30   1    -0.01   0.06  -0.23    -0.04   0.12  -0.46    -0.00   0.00  -0.00
    31   1    -0.00  -0.03   0.04     0.04  -0.06   0.18    -0.00  -0.00   0.00
    32   1     0.00   0.06  -0.04     0.03   0.27  -0.20    -0.00  -0.00   0.00
    33   1    -0.01   0.03   0.02    -0.03   0.07   0.14    -0.00   0.00  -0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1211.8084              1222.7581              1236.6941
 Red. masses --      1.2528                 2.1594                 2.3831
 Frc consts  --      1.0839                 1.9022                 2.1474
 IR Inten    --      2.7453                 9.8056                 1.2664
 RamAct Fr= 1--     44.8701                38.2926                28.7111
  Dep-P Fr= 1--      0.0911                 0.1382                 0.1245
  Dep-U Fr= 1--      0.1671                 0.2429                 0.2215
 Alpha2 Fr= 1--      0.8028                 0.6098                 0.4731
 Beta2  Fr= 1--      1.2493                 1.5500                 1.0599
 AlphaG Fr= 1--      0.0929                -0.0041                 0.1301
 Gamma2 Fr= 1--      2.1286                 1.3875                 1.3609
 Delta2 Fr= 1--     -0.4832                 0.0325                -0.3029
 Raman1 Fr= 1--     179.481                153.170                114.845
 ROA1   Fr= 1--     188.885                134.241                120.957
 CID1   Fr= 1--       1.052                  0.876                  1.053
 Raman2 Fr= 1--      14.992                 18.600                 12.719
 ROA2   Fr= 1--      54.953                 33.040                 35.085
 CID2   Fr= 1--       3.666                  1.776                  2.758
 Raman3 Fr= 1--      29.983                 37.200                 25.438
 ROA3   Fr= 1--     188.885                134.241                120.957
 CID3   Fr= 1--       6.300                  3.609                  4.755
 RC180  Fr= 1--      -0.666                 -0.514                 -0.557
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.04    -0.09  -0.04  -0.03     0.04   0.01  -0.01
     2   6     0.04   0.01  -0.00    -0.03  -0.02  -0.00     0.28   0.10  -0.01
     3   6     0.01   0.02   0.03     0.08   0.03   0.01    -0.07   0.00   0.06
     4   6    -0.09  -0.02   0.01     0.22   0.06  -0.03     0.04   0.01  -0.02
     5   6     0.02  -0.01  -0.04     0.06   0.02   0.01    -0.07  -0.04  -0.05
     6   6    -0.01  -0.02  -0.04    -0.08  -0.01   0.04     0.05   0.01   0.01
     7   6    -0.02  -0.01   0.00     0.02   0.01  -0.00    -0.09  -0.05   0.02
     8   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.01   0.00   0.04
     9   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.01   0.00  -0.02
    10   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.01  -0.01
    11   6     0.04   0.02  -0.01    -0.09  -0.04   0.03     0.01  -0.00   0.00
    12   6     0.00  -0.01   0.01    -0.01   0.02  -0.02    -0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.01     0.01  -0.01  -0.03     0.00  -0.00  -0.01
    14   8     0.00   0.00  -0.01    -0.00  -0.01   0.04    -0.00   0.00   0.01
    15   1    -0.35  -0.01   0.23    -0.48  -0.08   0.18    -0.18  -0.00   0.12
    16   1     0.37   0.22   0.23     0.20   0.09   0.06    -0.34  -0.14  -0.07
    17   1     0.48   0.03  -0.31    -0.01   0.02   0.06    -0.37  -0.07   0.12
    18   1    -0.32  -0.19  -0.22    -0.39  -0.18  -0.12    -0.28  -0.15  -0.19
    19   1    -0.06  -0.01  -0.01     0.03  -0.00  -0.00    -0.48   0.02  -0.11
    20   1    -0.03  -0.01   0.00     0.06  -0.00   0.02    -0.30  -0.02  -0.03
    21   1    -0.00   0.01   0.00     0.00   0.01   0.00    -0.07   0.03   0.01
    22   1     0.00  -0.01  -0.00     0.01  -0.01   0.00    -0.01  -0.06  -0.02
    23   1     0.00   0.01   0.01     0.00   0.02   0.01    -0.02   0.01   0.03
    24   1     0.00  -0.01   0.00     0.00  -0.01   0.00    -0.00   0.02   0.04
    25   1    -0.00   0.00  -0.00     0.01  -0.01   0.00     0.04   0.03   0.00
    26   1    -0.00  -0.00   0.00     0.01  -0.00   0.01    -0.05  -0.02   0.02
    27   1     0.00   0.00   0.00    -0.01  -0.01  -0.00    -0.01   0.02   0.03
    28   1     0.19   0.04  -0.06    -0.49  -0.13   0.17    -0.13  -0.02   0.05
    29   6    -0.01  -0.00   0.02     0.02  -0.00  -0.04    -0.01  -0.00  -0.01
    30   1     0.01  -0.01   0.06    -0.02   0.05  -0.19    -0.01   0.02  -0.07
    31   1     0.01   0.03  -0.04    -0.04  -0.08   0.08     0.01   0.00   0.02
    32   1     0.03  -0.02   0.02    -0.06   0.08  -0.05     0.01   0.01  -0.02
    33   1     0.00  -0.02  -0.01    -0.01   0.06   0.02    -0.00  -0.02   0.04
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1247.6176              1280.1017              1309.3077
 Red. masses --      1.6167                 1.7461                 1.5939
 Frc consts  --      1.4827                 1.6858                 1.6099
 IR Inten    --      3.1280                 2.3314                 4.2091
 RamAct Fr= 1--      5.4353                 5.2291                 4.2242
  Dep-P Fr= 1--      0.5449                 0.5421                 0.4582
  Dep-U Fr= 1--      0.7054                 0.7031                 0.6284
 Alpha2 Fr= 1--      0.0214                 0.0209                 0.0250
 Beta2  Fr= 1--      0.6390                 0.6128                 0.4424
 AlphaG Fr= 1--      0.0080                 0.0318                 0.0141
 Gamma2 Fr= 1--     -2.0462                 1.7807                -4.9249
 Delta2 Fr= 1--     -0.0969                 1.3826                -1.7072
 Raman1 Fr= 1--      21.741                 20.916                 16.897
 ROA1   Fr= 1--    -199.540                215.189               -527.418
 CID1   Fr= 1--      -9.178                 10.288                -31.214
 Raman2 Fr= 1--       7.668                  7.353                  5.309
 ROA2   Fr= 1--     -48.334                 31.675               -104.540
 CID2   Fr= 1--      -6.303                  4.308                -19.690
 Raman3 Fr= 1--      15.337                 14.706                 10.618
 ROA3   Fr= 1--    -199.540                215.189               -527.418
 CID3   Fr= 1--     -13.011                 14.633                -49.670
 RC180  Fr= 1--       0.411                  0.406                  0.257
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01  -0.04     0.02  -0.01  -0.04    -0.03   0.00   0.03
     2   6    -0.04   0.00   0.08     0.02   0.02   0.02     0.01  -0.02  -0.03
     3   6    -0.01  -0.01  -0.03    -0.01  -0.01  -0.03     0.02   0.02   0.03
     4   6     0.00   0.02   0.04     0.07   0.06   0.10    -0.01  -0.04  -0.08
     5   6     0.03   0.00  -0.02     0.03  -0.01  -0.05    -0.02   0.01   0.03
     6   6    -0.03  -0.02  -0.03    -0.04  -0.01  -0.01     0.03   0.02   0.02
     7   6     0.01  -0.00  -0.06     0.00  -0.01   0.01    -0.02   0.01  -0.01
     8   6    -0.00   0.00   0.15     0.00  -0.00  -0.02    -0.01   0.00  -0.00
     9   6     0.01   0.01  -0.10    -0.00  -0.00   0.02     0.00   0.00  -0.01
    10   6    -0.00  -0.00  -0.05     0.00   0.00   0.00    -0.00  -0.00   0.01
    11   6    -0.03  -0.00  -0.01    -0.16  -0.00  -0.01     0.04   0.08  -0.01
    12   6     0.01   0.00   0.00     0.02   0.06  -0.03    -0.05   0.09  -0.06
    13   8    -0.00   0.00   0.01    -0.02   0.00   0.05    -0.00  -0.00   0.05
    14   8     0.00  -0.00  -0.01     0.02  -0.03  -0.03     0.03  -0.04  -0.03
    15   1     0.14  -0.01  -0.10    -0.21  -0.02   0.09     0.11   0.01  -0.05
    16   1     0.02  -0.00  -0.01    -0.22  -0.13  -0.15     0.10   0.06   0.07
    17   1     0.01  -0.00  -0.00     0.09  -0.01  -0.08    -0.10  -0.01   0.08
    18   1    -0.05  -0.04  -0.05     0.04   0.03   0.03    -0.08  -0.04  -0.04
    19   1    -0.42   0.21  -0.20     0.09  -0.02   0.03    -0.00  -0.02   0.00
    20   1     0.46  -0.15   0.23    -0.19   0.04  -0.06     0.16  -0.04   0.06
    21   1    -0.00   0.25   0.16    -0.03  -0.09  -0.04     0.09   0.08   0.04
    22   1     0.04  -0.33  -0.06    -0.00   0.06   0.01    -0.00  -0.03  -0.01
    23   1    -0.08   0.14   0.15     0.02  -0.02  -0.02    -0.01   0.00   0.01
    24   1     0.03  -0.05   0.18    -0.01   0.01  -0.03     0.00   0.00   0.01
    25   1     0.14   0.05   0.03    -0.00  -0.00  -0.00    -0.03  -0.00  -0.00
    26   1    -0.05  -0.06   0.11     0.00   0.01  -0.01     0.01   0.01  -0.01
    27   1    -0.11   0.02   0.09     0.00  -0.01  -0.01     0.02   0.01  -0.01
    28   1     0.09  -0.01  -0.04     0.61  -0.18  -0.14    -0.05  -0.55   0.25
    29   6     0.01   0.00   0.01     0.05   0.00   0.01    -0.02  -0.04  -0.04
    30   1     0.00  -0.02   0.05     0.04  -0.15   0.44     0.08  -0.19   0.59
    31   1    -0.03  -0.02  -0.01    -0.11  -0.12   0.02     0.06  -0.03   0.15
    32   1    -0.03  -0.02   0.02    -0.14  -0.03   0.06     0.04   0.11  -0.11
    33   1     0.00   0.03  -0.04     0.01   0.12  -0.08    -0.03  -0.03   0.16
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1319.3569              1349.7290              1363.6703
 Red. masses --      1.3466                 2.1911                 1.5746
 Frc consts  --      1.3811                 2.3518                 1.7252
 IR Inten    --      1.4435                 0.6775                 0.8558
 RamAct Fr= 1--     17.1343                 2.4103                 7.7512
  Dep-P Fr= 1--      0.3062                 0.7345                 0.3331
  Dep-U Fr= 1--      0.4689                 0.8469                 0.4998
 Alpha2 Fr= 1--      0.1725                 0.0006                 0.0718
 Beta2  Fr= 1--      1.3390                 0.3402                 0.6456
 AlphaG Fr= 1--      0.0230                -0.0121                 0.0867
 Gamma2 Fr= 1--     -0.8989                 4.1445                -1.4123
 Delta2 Fr= 1--      0.5367                 1.6293                -1.2170
 Raman1 Fr= 1--      68.537                  9.641                 31.005
 ROA1   Fr= 1--     -69.118                450.008               -174.526
 CID1   Fr= 1--      -1.008                 46.676                 -5.629
 Raman2 Fr= 1--      16.068                  4.083                  7.748
 ROA2   Fr= 1--     -25.867                 86.433                -24.159
 CID2   Fr= 1--      -1.610                 21.171                 -3.118
 Raman3 Fr= 1--      32.135                  8.165                 15.495
 ROA3   Fr= 1--     -69.118                450.008               -174.526
 CID3   Fr= 1--      -2.151                 55.112                -11.263
 RC180  Fr= 1--      -0.062                  0.694                 -0.000
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.01     0.08   0.00  -0.04    -0.09  -0.01   0.04
     2   6     0.06  -0.02  -0.01    -0.00   0.07   0.18    -0.01   0.00   0.00
     3   6    -0.00   0.00   0.01    -0.11  -0.06  -0.05     0.04   0.02   0.01
     4   6     0.01   0.01   0.01    -0.02   0.02   0.07     0.03  -0.03  -0.10
     5   6    -0.02  -0.01  -0.01     0.11   0.01  -0.07    -0.03  -0.01   0.01
     6   6     0.01   0.01   0.01    -0.06  -0.04  -0.04     0.07   0.04   0.04
     7   6    -0.12   0.02  -0.04     0.01  -0.03  -0.05     0.05  -0.02  -0.01
     8   6    -0.05   0.01  -0.04    -0.05   0.06  -0.03    -0.05   0.04  -0.01
     9   6     0.02   0.01  -0.01     0.01  -0.01   0.03     0.01  -0.01   0.01
    10   6    -0.00  -0.02   0.06     0.01  -0.02   0.02     0.01  -0.01   0.01
    11   6    -0.02  -0.02   0.00     0.03   0.03  -0.02    -0.06  -0.05   0.04
    12   6     0.01  -0.01   0.01    -0.00  -0.00   0.00    -0.00   0.01  -0.01
    13   8    -0.00   0.00  -0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   8    -0.00   0.01   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    15   1    -0.11  -0.02   0.06     0.17   0.02  -0.10     0.32   0.02  -0.19
    16   1    -0.12  -0.06  -0.05     0.31   0.18   0.17     0.18   0.09   0.08
    17   1     0.01  -0.01  -0.03    -0.34  -0.04   0.18    -0.21  -0.02   0.11
    18   1     0.01  -0.02   0.01    -0.18  -0.10  -0.11    -0.32  -0.16  -0.18
    19   1     0.32  -0.15   0.11     0.24   0.08   0.04    -0.16   0.13  -0.08
    20   1     0.47  -0.15   0.24    -0.18  -0.03   0.02    -0.05   0.00  -0.03
    21   1     0.55   0.21   0.19     0.32  -0.40   0.10     0.25  -0.24   0.10
    22   1    -0.04  -0.08  -0.03    -0.06   0.06   0.00    -0.06   0.04  -0.01
    23   1    -0.04  -0.03  -0.00     0.01  -0.08  -0.05    -0.01  -0.03   0.01
    24   1     0.01   0.01  -0.01    -0.01   0.01  -0.09    -0.01   0.03  -0.04
    25   1    -0.14  -0.01  -0.00    -0.05   0.05  -0.00    -0.04   0.04  -0.01
    26   1     0.06   0.06  -0.10    -0.02   0.02  -0.07    -0.01   0.01  -0.03
    27   1     0.16   0.04  -0.06     0.07   0.03  -0.01     0.02   0.02   0.02
    28   1     0.07   0.09  -0.06    -0.20  -0.15   0.11     0.43   0.30  -0.22
    29   6     0.01   0.01   0.01    -0.01  -0.01  -0.00     0.02   0.02   0.02
    30   1    -0.01   0.02  -0.07     0.00  -0.00   0.01    -0.00  -0.01   0.01
    31   1    -0.02  -0.00  -0.02     0.02   0.01   0.02    -0.05  -0.01  -0.08
    32   1    -0.02  -0.02   0.02     0.04   0.04  -0.03    -0.05  -0.02   0.05
    33   1     0.01   0.01  -0.03    -0.01  -0.01   0.01     0.02   0.03  -0.07
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1372.5239              1374.9912              1392.5346
 Red. masses --      1.4761                 1.3041                 1.9982
 Frc consts  --      1.6384                 1.4527                 2.2830
 IR Inten    --      0.5385                 2.9997                47.5217
 RamAct Fr= 1--      3.7142                20.7711                 4.3941
  Dep-P Fr= 1--      0.2261                 0.5407                 0.7498
  Dep-U Fr= 1--      0.3688                 0.7019                 0.8570
 Alpha2 Fr= 1--      0.0470                 0.0836                 0.0000
 Beta2  Fr= 1--      0.2283                 2.4298                 0.6276
 AlphaG Fr= 1--      0.1695                 0.1834                 0.0017
 Gamma2 Fr= 1--      2.8957                 1.9768                 1.5345
 Delta2 Fr= 1--      0.5329                -2.4530                -1.5646
 Raman1 Fr= 1--      14.857                 83.084                 17.576
 ROA1   Fr= 1--     295.036                111.274                 97.248
 CID1   Fr= 1--      19.859                  1.339                  5.533
 Raman2 Fr= 1--       2.740                 29.158                  7.531
 ROA2   Fr= 1--      65.232                 67.066                 49.346
 CID2   Fr= 1--      23.809                  2.300                  6.552
 Raman3 Fr= 1--       5.480                 58.316                 15.063
 ROA3   Fr= 1--     295.036                111.274                 97.248
 CID3   Fr= 1--      53.843                  1.908                  6.456
 RC180  Fr= 1--      -0.262                  0.404                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.00    -0.01   0.00   0.01     0.03   0.00  -0.01
     2   6    -0.02   0.01   0.00     0.01   0.02   0.05    -0.00   0.00   0.00
     3   6    -0.00  -0.00  -0.01    -0.03  -0.01  -0.01    -0.01  -0.00   0.01
     4   6    -0.00   0.00   0.01     0.01  -0.01  -0.03    -0.01   0.02   0.01
     5   6     0.01   0.00   0.00     0.03   0.00  -0.02     0.02   0.00  -0.00
     6   6    -0.01  -0.01  -0.01     0.01   0.01   0.01    -0.03  -0.02  -0.01
     7   6     0.09   0.00   0.03    -0.06   0.03   0.00     0.00  -0.00   0.00
     8   6    -0.10  -0.12  -0.04     0.07  -0.09   0.00    -0.01   0.00  -0.00
     9   6     0.04   0.00  -0.03    -0.01   0.01  -0.03     0.00  -0.00   0.00
    10   6    -0.00   0.03   0.04    -0.02   0.02  -0.01    -0.00  -0.00   0.00
    11   6     0.01   0.01  -0.01    -0.02  -0.02   0.02     0.08  -0.15   0.03
    12   6     0.00  -0.00   0.00    -0.00   0.01  -0.01    -0.11   0.15  -0.11
    13   8     0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.02   0.03
    14   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.03  -0.05   0.01
    15   1    -0.01   0.01   0.01     0.18   0.01  -0.09    -0.11  -0.01   0.07
    16   1     0.01   0.01   0.00     0.18   0.11   0.10    -0.03   0.00  -0.00
    17   1     0.03   0.01  -0.01    -0.25  -0.02   0.13     0.01   0.03  -0.01
    18   1     0.04   0.03   0.02    -0.19  -0.11  -0.09     0.08   0.05   0.05
    19   1    -0.22   0.09  -0.08     0.40  -0.22   0.16    -0.03   0.02  -0.01
    20   1    -0.40   0.13  -0.20    -0.11   0.02   0.02     0.01   0.00  -0.01
    21   1     0.44   0.53   0.18    -0.34   0.52  -0.15     0.03  -0.02   0.01
    22   1    -0.08   0.06  -0.07     0.07  -0.04   0.01    -0.00   0.01  -0.00
    23   1    -0.07   0.09   0.17     0.01   0.08   0.03    -0.00   0.00   0.00
    24   1    -0.04   0.19   0.11    -0.00   0.01   0.08    -0.00   0.01   0.00
    25   1    -0.02  -0.08   0.02     0.08  -0.09   0.03    -0.00   0.00   0.00
    26   1     0.13   0.06  -0.04     0.05  -0.01   0.04     0.00   0.00  -0.00
    27   1     0.09  -0.03  -0.10    -0.00  -0.03  -0.06     0.00   0.00   0.00
    28   1    -0.05  -0.05   0.03     0.15   0.12  -0.08    -0.36   0.65  -0.17
    29   6    -0.00  -0.00  -0.00     0.01   0.01   0.01    -0.01   0.06   0.01
    30   1    -0.00   0.00  -0.01     0.00  -0.01   0.02     0.05  -0.15   0.42
    31   1     0.01   0.00   0.01    -0.02   0.00  -0.04    -0.07   0.01   0.00
    32   1     0.01   0.01  -0.01    -0.01   0.00   0.01     0.11  -0.18   0.08
    33   1    -0.00   0.00   0.01     0.00   0.01  -0.04     0.07  -0.16  -0.10
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1403.4907              1415.8038              1422.8298
 Red. masses --      1.2574                 1.2217                 1.2354
 Frc consts  --      1.4593                 1.4428                 1.4735
 IR Inten    --      5.4388                11.4897                 6.3922
 RamAct Fr= 1--      0.1206                 0.9281                 1.5622
  Dep-P Fr= 1--      0.5900                 0.5840                 0.3986
  Dep-U Fr= 1--      0.7421                 0.7374                 0.5700
 Alpha2 Fr= 1--      0.0004                 0.0029                 0.0116
 Beta2  Fr= 1--      0.0149                 0.1141                 0.1484
 AlphaG Fr= 1--      0.0015                 0.0064                 0.0119
 Gamma2 Fr= 1--     -0.1071                -0.2640                -0.0315
 Delta2 Fr= 1--      0.0130                 0.0718                -0.1219
 Raman1 Fr= 1--       0.483                  3.712                  6.249
 ROA1   Fr= 1--      -9.863                -23.042                 -6.920
 CID1   Fr= 1--     -20.441                 -6.207                 -1.107
 Raman2 Fr= 1--       0.179                  1.369                  1.781
 ROA2   Fr= 1--      -2.674                 -6.910                  0.220
 CID2   Fr= 1--     -14.936                 -5.048                  0.124
 Raman3 Fr= 1--       0.358                  2.737                  3.562
 ROA3   Fr= 1--      -9.863                -23.042                 -6.920
 CID3   Fr= 1--     -27.543                 -8.418                 -1.943
 RC180  Fr= 1--       0.484                  0.475                  0.140
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.01     0.01  -0.00   0.00
     3   6     0.00   0.00   0.00    -0.00   0.00   0.01    -0.00  -0.00  -0.00
     4   6     0.00   0.00   0.00     0.01   0.00  -0.00     0.00   0.00   0.00
     5   6    -0.00  -0.00   0.00     0.01   0.00   0.00     0.00   0.00  -0.00
     6   6     0.00   0.00  -0.00    -0.01  -0.00   0.00    -0.00   0.00   0.00
     7   6    -0.01  -0.01  -0.00     0.00   0.00   0.00    -0.02  -0.00  -0.01
     8   6     0.02   0.03   0.01    -0.00   0.00   0.00    -0.00   0.01   0.00
     9   6    -0.01  -0.09  -0.03    -0.00  -0.00  -0.00     0.00  -0.10  -0.04
    10   6    -0.10  -0.05  -0.01    -0.00  -0.00  -0.00     0.09   0.03  -0.00
    11   6     0.00   0.00  -0.00     0.01  -0.01   0.00    -0.00   0.00   0.00
    12   6     0.00  -0.00   0.00    -0.01   0.02  -0.02     0.00  -0.00   0.00
    13   8    -0.00   0.00  -0.00    -0.00   0.00   0.01    -0.00   0.00  -0.00
    14   8    -0.00   0.00  -0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
    15   1    -0.00  -0.00   0.00    -0.04  -0.00   0.02    -0.00  -0.00   0.00
    16   1    -0.01  -0.01  -0.01    -0.03  -0.02  -0.01     0.00   0.00   0.00
    17   1     0.01   0.00  -0.01    -0.01  -0.00   0.02    -0.01  -0.00   0.00
    18   1     0.00   0.00   0.00     0.02   0.01   0.02     0.00  -0.00   0.00
    19   1     0.01   0.02   0.00    -0.02   0.00  -0.01     0.07   0.02   0.02
    20   1     0.07  -0.02   0.02     0.02  -0.00  -0.00     0.10  -0.01   0.01
    21   1    -0.04  -0.09  -0.02     0.00  -0.01   0.00    -0.02  -0.02  -0.00
    22   1     0.08   0.38   0.00     0.00   0.00  -0.00     0.04   0.42  -0.02
    23   1     0.12   0.28   0.21    -0.00   0.00   0.00     0.09   0.30   0.27
    24   1    -0.16   0.31   0.13    -0.00   0.00   0.00    -0.17   0.34   0.16
    25   1     0.35   0.19   0.18    -0.00   0.00  -0.00    -0.33  -0.11  -0.18
    26   1     0.41  -0.02  -0.06     0.00  -0.00  -0.00    -0.38   0.00   0.06
    27   1     0.30   0.29  -0.06    -0.00   0.00   0.00    -0.28  -0.23   0.12
    28   1    -0.00  -0.01   0.00    -0.04   0.04  -0.01     0.00  -0.00   0.00
    29   6    -0.00   0.00  -0.00    -0.01  -0.10   0.09     0.00   0.00  -0.00
    30   1    -0.00   0.00  -0.00     0.01  -0.02   0.05    -0.00   0.00  -0.00
    31   1    -0.00  -0.00   0.00     0.21   0.24  -0.50    -0.00  -0.00   0.00
    32   1    -0.00  -0.00   0.00     0.09   0.54  -0.18    -0.00  -0.00   0.00
    33   1     0.00  -0.00   0.00    -0.14   0.35  -0.38     0.00  -0.00   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1459.9011              1485.5744              1490.2132
 Red. masses --      2.4884                 1.0756                 1.0458
 Frc consts  --      3.1248                 1.3986                 1.3683
 IR Inten    --      8.3335                 0.4701                 2.2054
 RamAct Fr= 1--      0.4897                 1.7583                10.2182
  Dep-P Fr= 1--      0.5993                 0.6284                 0.7254
  Dep-U Fr= 1--      0.7495                 0.7718                 0.8408
 Alpha2 Fr= 1--      0.0014                 0.0039                 0.0043
 Beta2  Fr= 1--      0.0612                 0.2262                 1.4319
 AlphaG Fr= 1--     -0.0247                 0.0365                -0.0066
 Gamma2 Fr= 1--     -3.0780                 1.1897                 4.5618
 Delta2 Fr= 1--      1.6242                -0.3331                 0.7262
 Raman1 Fr= 1--       1.959                  7.033                 40.873
 ROA1   Fr= 1--    -243.511                103.553                461.174
 CID1   Fr= 1--    -124.322                 14.723                 11.283
 Raman2 Fr= 1--       0.734                  2.714                 17.183
 ROA2   Fr= 1--     -86.865                 31.218                103.674
 CID2   Fr= 1--    -118.342                 11.502                  6.033
 Raman3 Fr= 1--       1.468                  5.428                 34.367
 ROA3   Fr= 1--    -243.511                103.553                461.174
 CID3   Fr= 1--    -165.875                 19.077                 13.419
 RC180  Fr= 1--       0.499                  0.544                  0.682
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.12  -0.05  -0.03    -0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6    -0.02   0.06   0.14     0.01  -0.00   0.00    -0.00   0.00  -0.00
     3   6     0.13   0.03  -0.04    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6    -0.01   0.06   0.14     0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   6    -0.14  -0.05  -0.02    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6     0.14   0.03  -0.04     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   6    -0.00  -0.00  -0.04    -0.04  -0.04   0.02     0.01   0.02  -0.01
     8   6     0.00  -0.01  -0.00     0.01   0.01   0.00    -0.01  -0.00  -0.01
     9   6    -0.00  -0.00   0.00     0.03   0.00   0.01    -0.00  -0.01   0.03
    10   6     0.00   0.01   0.00    -0.02   0.03  -0.01    -0.00   0.01  -0.04
    11   6     0.04  -0.01  -0.04     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   6    -0.01   0.02  -0.01    -0.00   0.00   0.00     0.00  -0.00   0.00
    13   8     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    14   8     0.00  -0.01   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    15   1     0.26  -0.03  -0.25    -0.00  -0.00  -0.00    -0.01   0.00   0.00
    16   1    -0.24  -0.19  -0.26    -0.00  -0.00  -0.00     0.00   0.00   0.00
    17   1     0.31  -0.02  -0.28    -0.00  -0.00  -0.00    -0.01   0.00   0.01
    18   1    -0.22  -0.17  -0.25    -0.02  -0.01  -0.01     0.01   0.00   0.01
    19   1     0.23  -0.07   0.05     0.14   0.43   0.08    -0.05  -0.17  -0.03
    20   1    -0.19  -0.02   0.06     0.22   0.10  -0.38    -0.08  -0.04   0.15
    21   1    -0.02   0.02  -0.01    -0.03  -0.00  -0.02     0.05   0.03   0.02
    22   1    -0.01  -0.01  -0.00    -0.33   0.08  -0.13    -0.12  -0.22  -0.02
    23   1     0.03   0.03  -0.00    -0.16   0.04   0.23     0.30   0.19  -0.09
    24   1    -0.01   0.03  -0.03     0.07  -0.13  -0.19    -0.10   0.22  -0.37
    25   1     0.03  -0.04   0.01     0.12  -0.38   0.03    -0.18  -0.23  -0.11
    26   1    -0.04   0.01  -0.00    -0.11  -0.10   0.27     0.13  -0.19   0.45
    27   1     0.01  -0.04  -0.05     0.19   0.07  -0.16     0.06   0.33   0.25
    28   1    -0.35  -0.05   0.08    -0.01  -0.00   0.00     0.01   0.00  -0.01
    29   6    -0.01  -0.01   0.01    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    30   1     0.01  -0.01   0.04     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    31   1     0.03   0.02  -0.00     0.00   0.00   0.00     0.04   0.03   0.04
    32   1     0.08   0.03  -0.02     0.01  -0.00  -0.00     0.03  -0.04   0.00
    33   1    -0.01   0.00  -0.07    -0.00   0.00  -0.00    -0.02   0.04  -0.01
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1492.0794              1497.6632              1498.7268
 Red. masses --      1.0467                 1.0758                 1.0553
 Frc consts  --      1.3729                 1.4217                 1.3966
 IR Inten    --      4.2664                 2.4718                 9.2938
 RamAct Fr= 1--      4.1407                 3.9706                 4.0921
  Dep-P Fr= 1--      0.6004                 0.6925                 0.6509
  Dep-U Fr= 1--      0.7503                 0.8183                 0.7886
 Alpha2 Fr= 1--      0.0115                 0.0040                 0.0073
 Beta2  Fr= 1--      0.5178                 0.5415                 0.5378
 AlphaG Fr= 1--     -0.0003                 0.0224                 0.0582
 Gamma2 Fr= 1--     -2.3572                 2.2967                -0.5246
 Delta2 Fr= 1--     -2.3603                -0.0602                 0.9968
 Raman1 Fr= 1--      16.563                 15.883                 16.368
 ROA1   Fr= 1--    -301.821                218.556                -18.460
 CID1   Fr= 1--     -18.223                 13.761                 -1.128
 Raman2 Fr= 1--       6.214                  6.498                  6.454
 ROA2   Fr= 1--     -37.690                 55.603                -20.564
 CID2   Fr= 1--      -6.066                  8.557                 -3.186
 Raman3 Fr= 1--      12.427                 12.997                 12.907
 ROA3   Fr= 1--    -301.821                218.556                -18.460
 CID3   Fr= 1--     -24.287                 16.816                 -1.430
 RC180  Fr= 1--       0.501                  0.637                  0.577
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.01  -0.00   0.00    -0.00   0.00   0.00
     2   6    -0.01  -0.00  -0.00     0.01  -0.00   0.01    -0.00  -0.00  -0.01
     3   6     0.01   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6     0.00  -0.00  -0.00     0.00   0.00   0.01     0.00  -0.00  -0.00
     5   6     0.01   0.00  -0.01    -0.01  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00   0.01     0.01   0.00   0.00    -0.00   0.00   0.00
     7   6     0.00   0.00   0.00    -0.03  -0.04   0.03     0.01   0.01  -0.00
     8   6     0.00   0.00   0.00    -0.02  -0.02  -0.01     0.00   0.00   0.00
     9   6     0.00   0.00  -0.00    -0.03   0.01  -0.00     0.01  -0.00   0.00
    10   6    -0.00  -0.00   0.00     0.01  -0.02  -0.01    -0.00   0.00   0.00
    11   6    -0.02  -0.01  -0.01    -0.00   0.00  -0.00    -0.02   0.03   0.01
    12   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.01  -0.01   0.01
    13   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.01
    14   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    15   1    -0.02  -0.00   0.01     0.01  -0.00  -0.01    -0.00   0.00   0.01
    16   1    -0.01  -0.01  -0.00     0.00  -0.01  -0.00    -0.00  -0.01   0.00
    17   1    -0.03  -0.00   0.02     0.00  -0.00  -0.01    -0.01  -0.00   0.01
    18   1    -0.02  -0.01  -0.01    -0.03  -0.01  -0.02     0.00   0.00   0.01
    19   1     0.00   0.01   0.00     0.14   0.44   0.08    -0.03  -0.08  -0.02
    20   1     0.01   0.00  -0.00     0.16   0.12  -0.42    -0.02  -0.02   0.07
    21   1    -0.01  -0.01  -0.00     0.03   0.07   0.01    -0.01  -0.01  -0.00
    22   1     0.00   0.02  -0.00     0.34  -0.13   0.13    -0.06   0.03  -0.02
    23   1    -0.03  -0.01   0.02     0.16  -0.06  -0.27    -0.03   0.01   0.05
    24   1     0.01  -0.02   0.03    -0.06   0.12   0.18     0.01  -0.03  -0.03
    25   1     0.02   0.02   0.01    -0.20   0.19  -0.08     0.02  -0.02   0.01
    26   1    -0.02   0.02  -0.05     0.20  -0.03   0.03    -0.02   0.00  -0.01
    27   1    -0.00  -0.04  -0.03    -0.11   0.14   0.27     0.01  -0.02  -0.03
    28   1     0.04   0.04  -0.05    -0.01  -0.01   0.01     0.05  -0.07   0.03
    29   6    -0.04  -0.02  -0.02    -0.01   0.00   0.00    -0.03   0.02   0.03
    30   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.02
    31   1     0.48   0.27   0.42    -0.02  -0.03   0.05    -0.22  -0.20   0.25
    32   1     0.34  -0.39   0.05     0.11   0.01  -0.03     0.58   0.11  -0.15
    33   1    -0.17   0.43  -0.11     0.01  -0.04  -0.10     0.11  -0.33  -0.55
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1504.1739              1511.0182              1551.5886
 Red. masses --      1.0528                 1.0511                 2.4409
 Frc consts  --      1.4035                 1.4139                 3.4623
 IR Inten    --      4.5950                12.1915                25.5528
 RamAct Fr= 1--      7.0263                 1.0407                 0.7636
  Dep-P Fr= 1--      0.7377                 0.4936                 0.6100
  Dep-U Fr= 1--      0.8491                 0.6609                 0.7577
 Alpha2 Fr= 1--      0.0015                 0.0053                 0.0020
 Beta2  Fr= 1--      0.9943                 0.1146                 0.0964
 AlphaG Fr= 1--      0.0067                -0.0067                 0.0147
 Gamma2 Fr= 1--     -0.7009                -1.4768                -0.1577
 Delta2 Fr= 1--      0.0831                -0.2908                -0.3660
 Raman1 Fr= 1--      28.105                  4.163                  3.055
 ROA1   Fr= 1--     -64.626               -151.083                -26.850
 CID1   Fr= 1--      -2.299                -36.295                 -8.790
 Raman2 Fr= 1--      11.932                  1.376                  1.157
 ROA2   Fr= 1--     -17.487                -33.117                 -0.856
 CID2   Fr= 1--      -1.466                -24.074                 -0.740
 Raman3 Fr= 1--      23.863                  2.751                  2.315
 ROA3   Fr= 1--     -64.626               -151.083                -26.850
 CID3   Fr= 1--      -2.708                -54.914                -11.601
 RC180  Fr= 1--       0.698                  0.322                  0.515
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.10   0.01   0.10
     2   6    -0.00   0.00   0.00    -0.01   0.00   0.00     0.15   0.04  -0.01
     3   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.09  -0.07  -0.10
     4   6    -0.00   0.00   0.01    -0.00   0.00   0.00     0.15   0.05   0.00
     5   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.10   0.01   0.09
     6   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.08  -0.06  -0.09
     7   6    -0.00   0.01  -0.00     0.01   0.01  -0.00    -0.03  -0.01   0.00
     8   6     0.03  -0.02  -0.01    -0.01   0.02  -0.03    -0.00   0.00  -0.00
     9   6     0.03   0.01  -0.01    -0.01   0.01  -0.03     0.00   0.00  -0.00
    10   6     0.00  -0.03  -0.02    -0.01   0.01  -0.02     0.00  -0.00   0.00
    11   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.03  -0.01  -0.00
    12   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.01
    13   8    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    15   1     0.01  -0.00  -0.01    -0.00   0.00  -0.00     0.43   0.06  -0.18
    16   1    -0.00  -0.00  -0.01    -0.01  -0.00  -0.00     0.43   0.21   0.17
    17   1     0.00  -0.00  -0.01    -0.00  -0.00  -0.00     0.40   0.06  -0.17
    18   1    -0.01  -0.01  -0.01    -0.01  -0.00  -0.01     0.37   0.17   0.14
    19   1     0.04  -0.04   0.01    -0.02  -0.13  -0.02    -0.04  -0.03  -0.00
    20   1    -0.03   0.00   0.01    -0.07  -0.03   0.11    -0.04  -0.01   0.02
    21   1    -0.02   0.04  -0.03     0.06  -0.06  -0.01     0.01  -0.00   0.00
    22   1    -0.32   0.19  -0.13     0.30   0.24   0.09     0.00   0.01  -0.00
    23   1    -0.31  -0.02   0.31    -0.27  -0.26  -0.02    -0.01  -0.01   0.00
    24   1     0.13  -0.26  -0.05     0.07  -0.18   0.50     0.01  -0.01   0.01
    25   1    -0.29   0.34  -0.11    -0.06  -0.32  -0.05    -0.00  -0.01  -0.00
    26   1     0.32  -0.02  -0.01     0.01  -0.16   0.39    -0.00  -0.01   0.01
    27   1    -0.20   0.18   0.41     0.14   0.23   0.06     0.01   0.01  -0.00
    28   1    -0.01   0.00   0.00    -0.00  -0.00   0.00    -0.05   0.00   0.00
    29   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    30   1     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.01
    31   1     0.01   0.00  -0.01     0.00   0.00   0.00     0.05   0.03   0.03
    32   1    -0.01  -0.00   0.00     0.00  -0.00   0.00     0.04  -0.03   0.00
    33   1    -0.00   0.01   0.01    -0.00   0.00  -0.00    -0.02   0.05  -0.03
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1618.3602              1658.3011              1805.6964
 Red. masses --      6.0484                 5.7958                 9.5418
 Frc consts  --      9.3334                 9.3905                18.3304
 IR Inten    --      0.2528                 1.5838               271.3876
 RamAct Fr= 1--      1.7202               132.5759                16.0291
  Dep-P Fr= 1--      0.7199                 0.4855                 0.1923
  Dep-U Fr= 1--      0.8372                 0.6537                 0.3226
 Alpha2 Fr= 1--      0.0009                 0.6993                 0.2222
 Beta2  Fr= 1--      0.2400                14.4437                 0.8617
 AlphaG Fr= 1--      0.0150                 0.3454                -0.4073
 Gamma2 Fr= 1--      0.0793                 5.4552                -1.2454
 Delta2 Fr= 1--     -0.1476                 0.5401                 1.0117
 Raman1 Fr= 1--       6.881                530.303                 64.116
 ROA1   Fr= 1--       2.886                540.982                -87.180
 CID1   Fr= 1--       0.419                  1.020                 -1.360
 Raman2 Fr= 1--       2.880                173.325                 10.341
 ROA2   Fr= 1--       3.083                126.604                -37.982
 CID2   Fr= 1--       1.070                  0.730                 -3.673
 Raman3 Fr= 1--       5.760                346.649                 20.682
 ROA3   Fr= 1--       2.886                540.982                -87.180
 CID3   Fr= 1--       0.501                  1.561                 -4.215
 RC180  Fr= 1--       0.674                  0.307                 -0.355
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10   0.05   0.19     0.29   0.06  -0.08     0.01  -0.00  -0.01
     2   6     0.01  -0.13  -0.32    -0.20  -0.06  -0.00    -0.00   0.00   0.00
     3   6    -0.07  -0.10  -0.18    -0.27  -0.11  -0.06    -0.01  -0.00   0.00
     4   6    -0.04   0.12   0.33     0.18   0.05  -0.01     0.02   0.01  -0.01
     5   6     0.12  -0.05  -0.21    -0.27  -0.05   0.08    -0.01  -0.00   0.01
     6   6     0.08   0.11   0.20     0.26   0.11   0.07     0.01   0.00  -0.00
     7   6     0.01   0.02   0.04     0.03   0.01  -0.00     0.00   0.00  -0.00
     8   6     0.00   0.01   0.00     0.01  -0.00   0.00     0.00  -0.00   0.00
     9   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    10   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    11   6     0.02  -0.01  -0.04    -0.02  -0.01   0.00     0.01  -0.04  -0.04
    12   6    -0.00   0.01   0.00    -0.00   0.00  -0.02    -0.25   0.26   0.61
    13   8     0.00  -0.00  -0.00    -0.00   0.00   0.01     0.14  -0.14  -0.40
    14   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.02  -0.02  -0.06
    15   1     0.27   0.08  -0.01    -0.30   0.01   0.25    -0.01  -0.00   0.01
    16   1     0.27   0.09  -0.01     0.26   0.19   0.24    -0.03   0.01  -0.01
    17   1    -0.32  -0.09   0.03     0.27  -0.00  -0.22     0.02  -0.00  -0.01
    18   1    -0.31  -0.10  -0.01    -0.25  -0.16  -0.21    -0.00  -0.01  -0.01
    19   1    -0.23  -0.05  -0.05     0.01  -0.00  -0.01     0.00  -0.00  -0.00
    20   1     0.16   0.00   0.02     0.03   0.00   0.01    -0.00  -0.00   0.00
    21   1    -0.01   0.00   0.00    -0.01   0.00  -0.00    -0.00   0.00   0.00
    22   1    -0.00  -0.01   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    23   1     0.01   0.01  -0.00     0.01   0.01   0.01    -0.00  -0.00   0.00
    24   1    -0.00   0.01  -0.01    -0.00   0.00  -0.01     0.00  -0.00   0.00
    25   1     0.02  -0.01   0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    26   1    -0.02   0.00  -0.01     0.00   0.00  -0.00     0.00   0.00   0.00
    27   1     0.01  -0.01  -0.02    -0.01  -0.01   0.00    -0.00  -0.00   0.00
    28   1    -0.27  -0.05   0.06    -0.02   0.01  -0.00     0.17  -0.16  -0.01
    29   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    30   1     0.00  -0.00   0.01     0.00   0.00  -0.01     0.04  -0.14   0.45
    31   1     0.01   0.01  -0.00     0.02   0.01  -0.00     0.03   0.05  -0.10
    32   1    -0.01  -0.02   0.01     0.02   0.00  -0.00    -0.04   0.05   0.01
    33   1    -0.00   0.02   0.02    -0.01   0.02  -0.02    -0.03   0.03   0.01
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3003.8332              3018.5224              3020.2666
 Red. masses --      1.0811                 1.0499                 1.0407
 Frc consts  --      5.7474                 5.6362                 5.5935
 IR Inten    --      3.1551                 8.3143                41.9392
 RamAct Fr= 1--    138.1605                13.5591                26.3901
  Dep-P Fr= 1--      0.1898                 0.5948                 0.3064
  Dep-U Fr= 1--      0.3190                 0.7459                 0.4691
 Alpha2 Fr= 1--      1.9275                 0.0391                 0.2655
 Beta2  Fr= 1--      7.3461                 1.6856                 2.0632
 AlphaG Fr= 1--      0.9135                 0.1398                -0.2651
 Gamma2 Fr= 1--      9.6399                -5.6867                 0.2214
 Delta2 Fr= 1--      5.9681                -1.5777                -3.2057
 Raman1 Fr= 1--     552.642                 54.236                105.560
 ROA1   Fr= 1--    1116.408               -596.412                -81.326
 CID1   Fr= 1--       2.020                -10.997                 -0.770
 Raman2 Fr= 1--      88.153                 20.227                 24.758
 ROA2   Fr= 1--     183.613               -123.860                 30.960
 CID2   Fr= 1--       2.083                 -6.123                  1.250
 Raman3 Fr= 1--     176.306                 40.454                 49.517
 ROA3   Fr= 1--    1116.408               -596.412                -81.326
 CID3   Fr= 1--       6.332                -14.743                 -1.642
 RC180  Fr= 1--      -0.362                  0.492                 -0.062
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     3   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     4   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     7   6    -0.01  -0.00   0.02    -0.02  -0.04   0.02    -0.01  -0.02   0.01
     8   6     0.03   0.00  -0.07    -0.00  -0.00   0.01     0.00   0.00   0.00
     9   6    -0.00   0.00   0.01     0.00  -0.00  -0.00     0.01  -0.03  -0.03
    10   6    -0.00   0.00   0.01     0.03   0.01  -0.01    -0.03  -0.01   0.01
    11   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    14   8    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    15   1    -0.00  -0.00  -0.01    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00
    16   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    17   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    18   1    -0.00   0.00   0.00    -0.01   0.00   0.01    -0.00  -0.00   0.00
    19   1     0.08   0.00  -0.23     0.17  -0.00  -0.50     0.09  -0.00  -0.27
    20   1    -0.00   0.02   0.01     0.05   0.51   0.21     0.02   0.25   0.11
    21   1    -0.34  -0.02   0.88     0.04   0.00  -0.09     0.00  -0.00  -0.01
    22   1     0.06  -0.00  -0.17    -0.02   0.00   0.06    -0.19   0.00   0.52
    23   1    -0.01   0.00  -0.00    -0.01   0.01  -0.01    -0.21   0.21  -0.21
    24   1    -0.00  -0.00   0.00     0.02   0.01  -0.00     0.27   0.10  -0.01
    25   1     0.05   0.01  -0.12    -0.17  -0.02   0.41     0.15   0.01  -0.36
    26   1     0.00  -0.04  -0.01     0.00  -0.31  -0.13    -0.00   0.27   0.11
    27   1    -0.02   0.02  -0.02    -0.17   0.18  -0.17     0.17  -0.17   0.16
    28   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    29   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    30   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    32   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    33   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3026.8157              3047.1468              3056.3522
 Red. masses --      1.0439                 1.0355                 1.1034
 Frc consts  --      5.6348                 5.6649                 6.0726
 IR Inten    --     49.2014                23.6922                15.5965
 RamAct Fr= 1--    419.3445               217.2240                28.2585
  Dep-P Fr= 1--      0.0095                 0.0643                 0.7281
  Dep-U Fr= 1--      0.0188                 0.1208                 0.8427
 Alpha2 Fr= 1--      9.1145                 4.1469                 0.0106
 Beta2  Fr= 1--      1.3129                 4.3734                 3.9687
 AlphaG Fr= 1--     -1.2876                -0.3642                -0.1267
 Gamma2 Fr= 1--     -1.2196                -0.2564                -0.9586
 Delta2 Fr= 1--      0.0983                 3.6071                 1.1821
 Raman1 Fr= 1--    1677.378                868.896                113.034
 ROA1   Fr= 1--    -113.939                 90.812                -54.204
 CID1   Fr= 1--      -0.068                  0.105                 -0.480
 Raman2 Fr= 1--      15.755                 52.480                 47.625
 ROA2   Fr= 1--     -30.057                -35.010                -32.464
 CID2   Fr= 1--      -1.908                 -0.667                 -0.682
 Raman3 Fr= 1--      31.510                104.960                 95.249
 ROA3   Fr= 1--    -113.939                 90.812                -54.204
 CID3   Fr= 1--      -3.616                  0.865                 -0.569
 RC180  Fr= 1--      -0.962                 -0.758                  0.685
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     2   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     7   6     0.01   0.03  -0.01     0.00   0.00  -0.00     0.01  -0.05  -0.07
     8   6     0.01   0.00  -0.02     0.00  -0.00  -0.00     0.00  -0.00  -0.01
     9   6     0.01  -0.03  -0.02    -0.00  -0.00  -0.00    -0.00  -0.01   0.01
    10   6     0.02   0.01  -0.00     0.00   0.00  -0.00    -0.00   0.01   0.01
    11   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    12   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    13   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    14   8     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    15   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.01  -0.01  -0.01
    16   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    17   1     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    18   1     0.01  -0.00  -0.01     0.00  -0.00  -0.00     0.01  -0.00  -0.01
    19   1    -0.09   0.00   0.26    -0.00   0.00   0.00    -0.23  -0.02   0.66
    20   1    -0.03  -0.34  -0.14    -0.00  -0.00  -0.00     0.06   0.62   0.24
    21   1    -0.07  -0.00   0.18    -0.00  -0.00   0.00    -0.05  -0.00   0.13
    22   1    -0.17   0.00   0.47    -0.00   0.00   0.00     0.01   0.00  -0.04
    23   1    -0.21   0.20  -0.20     0.00  -0.00   0.00    -0.05   0.05  -0.04
    24   1     0.27   0.11  -0.01     0.00   0.00  -0.00     0.04   0.02   0.00
    25   1    -0.13  -0.01   0.31    -0.00  -0.00   0.00     0.04   0.01  -0.09
    26   1     0.00  -0.28  -0.12     0.00  -0.00  -0.00     0.00  -0.11  -0.04
    27   1    -0.17   0.17  -0.16    -0.00   0.00  -0.00    -0.03   0.03  -0.02
    28   1    -0.00  -0.00  -0.00    -0.01  -0.01  -0.03    -0.00  -0.00  -0.00
    29   6     0.00   0.00  -0.00    -0.02  -0.04   0.02    -0.00  -0.00   0.00
    30   1     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    31   1     0.00  -0.00  -0.00    -0.35   0.44   0.12    -0.00   0.00   0.00
    32   1     0.00   0.00   0.00    -0.10  -0.17  -0.42    -0.00  -0.00  -0.00
    33   1    -0.00  -0.00  -0.00     0.64   0.20   0.02     0.00   0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3071.0378              3077.6981              3084.2832
 Red. masses --      1.0840                 1.0993                 1.0992
 Frc consts  --      6.0238                 6.1353                 6.1610
 IR Inten    --      6.9053                10.4291                56.4491
 RamAct Fr= 1--     66.0204                22.6622               114.9023
  Dep-P Fr= 1--      0.1964                 0.7392                 0.4556
  Dep-U Fr= 1--      0.3283                 0.8500                 0.6260
 Alpha2 Fr= 1--      0.9053                 0.0042                 0.6885
 Beta2  Fr= 1--      3.6120                 3.2106                11.9884
 AlphaG Fr= 1--     -0.3679                -0.0244                -1.1223
 Gamma2 Fr= 1--     -3.3829                -9.6968                 5.1060
 Delta2 Fr= 1--     -2.0249                 3.8040               -16.6161
 Raman1 Fr= 1--     264.082                 90.649                459.609
 ROA1   Fr= 1--    -389.556               -809.162                -41.540
 CID1   Fr= 1--      -1.475                 -8.926                 -0.090
 Raman2 Fr= 1--      43.344                 38.527                143.861
 ROA2   Fr= 1--     -64.991               -263.155                255.472
 CID2   Fr= 1--      -1.499                 -6.830                  1.776
 Raman3 Fr= 1--      86.688                 77.055                287.723
 ROA3   Fr= 1--    -389.556               -809.162                -41.540
 CID3   Fr= 1--      -4.494                -10.501                 -0.144
 RC180  Fr= 1--      -0.343                  0.700                  0.252
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     4   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     5   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.01
     8   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.00  -0.02
     9   6    -0.00  -0.00   0.00    -0.00  -0.03   0.05    -0.00   0.03  -0.06
    10   6     0.00   0.00   0.00    -0.00  -0.01  -0.07     0.01  -0.03  -0.05
    11   6    -0.02  -0.03  -0.07    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    14   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    15   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01
    16   1    -0.00   0.00   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    17   1    -0.01  -0.01  -0.02    -0.00  -0.00  -0.00     0.00   0.00   0.00
    18   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.01  -0.00  -0.01
    19   1    -0.00  -0.00   0.00    -0.01  -0.00   0.03    -0.04  -0.01   0.11
    20   1    -0.00  -0.00  -0.00     0.00   0.03   0.01     0.01   0.09   0.03
    21   1    -0.00  -0.00   0.00    -0.01  -0.00   0.03    -0.07  -0.00   0.19
    22   1    -0.00  -0.00   0.00     0.14  -0.01  -0.36    -0.16   0.02   0.41
    23   1    -0.00   0.00  -0.00    -0.29   0.29  -0.27     0.32  -0.31   0.29
    24   1     0.00   0.00  -0.00     0.16   0.06   0.01    -0.15  -0.06  -0.01
    25   1     0.00   0.00  -0.00    -0.21  -0.02   0.50    -0.17  -0.03   0.40
    26   1     0.00  -0.00  -0.00     0.00   0.35   0.13     0.00   0.44   0.18
    27   1    -0.00   0.00  -0.00     0.22  -0.22   0.19     0.06  -0.06   0.04
    28   1     0.23   0.34   0.89     0.00   0.00   0.00     0.00   0.00   0.00
    29   6     0.01   0.01   0.01    -0.00  -0.00   0.00     0.00   0.00   0.00
    30   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    31   1     0.01  -0.01  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    32   1    -0.03  -0.06  -0.15    -0.00  -0.00  -0.00     0.00   0.00   0.00
    33   1    -0.04  -0.01   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3090.0213              3103.5091              3110.7840
 Red. masses --      1.1014                 1.1002                 1.1023
 Frc consts  --      6.1961                 6.2436                 6.2849
 IR Inten    --     41.9023                34.0411                27.5370
 RamAct Fr= 1--    120.1326                52.4865               102.8916
  Dep-P Fr= 1--      0.6599                 0.7041                 0.6752
  Dep-U Fr= 1--      0.7951                 0.8263                 0.8061
 Alpha2 Fr= 1--      0.1932                 0.0419                 0.1362
 Beta2  Fr= 1--     15.9196                 7.2286                13.8232
 AlphaG Fr= 1--     -0.0346                -0.1657                 0.0796
 Gamma2 Fr= 1--      6.4698                -9.5880                -1.7086
 Delta2 Fr= 1--     11.7521                -1.0458                -3.8345
 Raman1 Fr= 1--     480.530                209.946                411.566
 ROA1   Fr= 1--     997.169               -953.910               -286.729
 CID1   Fr= 1--       2.075                 -4.544                 -0.697
 Raman2 Fr= 1--     191.036                 86.743                165.878
 ROA2   Fr= 1--      61.259               -221.745                -10.330
 CID2   Fr= 1--       0.321                 -2.556                 -0.062
 Raman3 Fr= 1--     382.072                173.485                331.756
 ROA3   Fr= 1--     997.169               -953.910               -286.729
 CID3   Fr= 1--       2.610                 -5.499                 -0.864
 RC180  Fr= 1--       0.590                  0.653                  0.612
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     3   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     4   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     5   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     8   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     9   6    -0.00  -0.01   0.02    -0.09  -0.01  -0.01     0.00   0.00   0.00
    10   6     0.03  -0.08   0.03    -0.00   0.00  -0.00     0.00  -0.00   0.00
    11   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    13   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    14   8     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    15   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    16   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    17   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    18   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    19   1    -0.00   0.00  -0.00     0.00   0.00  -0.01    -0.00  -0.00   0.00
    20   1     0.00   0.02   0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   1     0.02   0.00  -0.05     0.01  -0.00  -0.03    -0.00   0.00   0.00
    22   1     0.04  -0.00  -0.12     0.04  -0.00  -0.17    -0.00   0.00   0.00
    23   1    -0.08   0.08  -0.08     0.24  -0.26   0.25    -0.00   0.00  -0.00
    24   1     0.08   0.03   0.00     0.81   0.34  -0.00    -0.01  -0.00   0.00
    25   1     0.05  -0.01  -0.10     0.00   0.00  -0.00    -0.00  -0.00   0.00
    26   1     0.01   0.53   0.23    -0.00  -0.02  -0.01     0.00  -0.00  -0.00
    27   1    -0.46   0.44  -0.44     0.02  -0.02   0.02    -0.00   0.00  -0.00
    28   1     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.02   0.05
    29   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.09   0.02  -0.00
    30   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   1    -0.00   0.00   0.00     0.00  -0.01  -0.00     0.40  -0.53  -0.14
    32   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.02   0.07   0.18
    33   1     0.00   0.00   0.00     0.01   0.00   0.00     0.67   0.23   0.01
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3129.5770              3160.0843              3160.7705
 Red. masses --      1.1014                 1.0875                 1.0868
 Frc consts  --      6.3556                 6.3984                 6.3973
 IR Inten    --     12.7840                19.3846                 3.1612
 RamAct Fr= 1--     26.7241                13.2614                98.8950
  Dep-P Fr= 1--      0.6729                 0.1558                 0.6918
  Dep-U Fr= 1--      0.8045                 0.2696                 0.8178
 Alpha2 Fr= 1--      0.0365                 0.2020                 0.1009
 Beta2  Fr= 1--      3.5833                 0.5958                13.4793
 AlphaG Fr= 1--     -0.0011                 0.1682                 0.1193
 Gamma2 Fr= 1--      0.3465                 1.2192                -3.5926
 Delta2 Fr= 1--      1.8689                 0.9464                 1.0047
 Raman1 Fr= 1--     106.896                 53.046                395.580
 ROA1   Fr= 1--      93.071                147.332               -312.744
 CID1   Fr= 1--       0.871                  2.777                 -0.791
 Raman2 Fr= 1--      42.999                  7.150                161.752
 ROA2   Fr= 1--      -6.635                 21.690                -94.261
 CID2   Fr= 1--      -0.154                  3.034                 -0.583
 Raman3 Fr= 1--      85.999                 14.300                323.504
 ROA3   Fr= 1--      93.071                147.332               -312.744
 CID3   Fr= 1--       1.082                 10.303                 -0.967
 RC180  Fr= 1--       0.609                 -0.461                  0.636
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.03  -0.03  -0.05    -0.02  -0.02  -0.03
     2   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     3   6    -0.00   0.00   0.00    -0.01   0.01   0.02    -0.01   0.00   0.01
     4   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6     0.00   0.00   0.00    -0.01  -0.02  -0.03     0.02   0.02   0.04
     6   6     0.00  -0.00  -0.00    -0.02   0.01   0.03     0.03  -0.01  -0.04
     7   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     8   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     9   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    10   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    11   6    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    12   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   8    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    14   8    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1     0.00   0.01   0.01     0.31   0.36   0.61     0.20   0.24   0.40
    16   1     0.02  -0.01  -0.03     0.17  -0.06  -0.26     0.10  -0.04  -0.16
    17   1    -0.01  -0.01  -0.01     0.16   0.18   0.33    -0.23  -0.25  -0.45
    18   1    -0.00   0.00   0.00     0.20  -0.06  -0.30    -0.33   0.10   0.50
    19   1    -0.00  -0.00   0.00     0.00   0.00  -0.01    -0.01  -0.00   0.01
    20   1     0.00   0.00   0.00     0.00   0.01   0.00     0.00   0.01   0.00
    21   1    -0.00  -0.00   0.00    -0.00  -0.00   0.01    -0.00  -0.00   0.01
    22   1    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.01
    23   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    24   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    25   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    27   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    28   1     0.04   0.05   0.14     0.00   0.00   0.01    -0.01  -0.01  -0.02
    29   6    -0.01  -0.06  -0.07     0.00   0.00   0.00     0.00   0.00   0.00
    30   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    31   1    -0.28   0.34   0.08     0.00  -0.00  -0.00     0.00  -0.01  -0.00
    32   1     0.18   0.29   0.78    -0.00  -0.00  -0.01    -0.00  -0.01  -0.02
    33   1     0.18   0.05  -0.01    -0.00  -0.00  -0.00    -0.01  -0.00   0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3177.2789              3183.8238              3723.2643
 Red. masses --      1.0937                 1.0931                 1.0639
 Frc consts  --      6.5051                 6.5285                 8.6899
 IR Inten    --     17.6225                 2.4970                65.6834
 RamAct Fr= 1--    106.6071               121.5248               145.9172
  Dep-P Fr= 1--      0.1489                 0.1402                 0.2473
  Dep-U Fr= 1--      0.2592                 0.2459                 0.3965
 Alpha2 Fr= 1--      1.6527                 1.9258                 1.7427
 Beta2  Fr= 1--      4.6052                 4.9808                 9.6425
 AlphaG Fr= 1--     -0.9275                 0.0462                -0.2731
 Gamma2 Fr= 1--     -5.9790                 4.6838                -5.1170
 Delta2 Fr= 1--     -2.3997                 1.0125                 0.1382
 Raman1 Fr= 1--     426.428                486.099                583.669
 ROA1   Fr= 1--    -650.770                482.041               -486.809
 CID1   Fr= 1--      -1.526                  0.992                 -0.834
 Raman2 Fr= 1--      55.263                 59.769                115.710
 ROA2   Fr= 1--    -124.298                104.311               -123.913
 CID2   Fr= 1--      -2.249                  1.745                 -1.071
 Raman3 Fr= 1--     110.526                119.538                231.421
 ROA3   Fr= 1--    -650.770                482.041               -486.809
 CID3   Fr= 1--      -5.888                  4.033                 -2.104
 RC180  Fr= 1--      -0.482                 -0.508                 -0.207
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.02  -0.02  -0.03     0.00   0.00   0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     3   6     0.01  -0.00  -0.01     0.04  -0.01  -0.07    -0.00   0.00  -0.00
     4   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     5   6    -0.03  -0.03  -0.05     0.00   0.00   0.01     0.00   0.00  -0.00
     6   6     0.03  -0.01  -0.05    -0.01   0.00   0.01     0.00  -0.00  -0.00
     7   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     8   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     9   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    10   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    11   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    12   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    13   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    14   8     0.00  -0.00   0.00    -0.00   0.00   0.00     0.03  -0.05  -0.02
    15   1     0.01   0.01   0.01     0.15   0.17   0.29    -0.00  -0.00  -0.00
    16   1    -0.09   0.03   0.13    -0.49   0.17   0.75     0.00   0.00   0.00
    17   1     0.29   0.31   0.56    -0.04  -0.04  -0.08     0.00   0.00   0.00
    18   1    -0.37   0.12   0.57     0.06  -0.02  -0.10    -0.00   0.00   0.00
    19   1    -0.01  -0.00   0.01     0.00   0.00  -0.00    -0.00   0.00   0.00
    20   1    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    21   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    22   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    23   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    24   1     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    25   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    27   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    28   1     0.01   0.01   0.02    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    29   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    30   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.54   0.80   0.24
    31   1    -0.00   0.00   0.00    -0.01   0.01   0.00    -0.00   0.00   0.00
    32   1     0.00   0.00   0.01     0.01   0.01   0.03     0.00  -0.00   0.00
    33   1     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  8 and mass  15.99491
 Atom    14 has atomic number  8 and mass  15.99491
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Molecular mass:   206.13068 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1165.557297383.385407460.60428
           X            0.99997   0.00786   0.00163
           Y           -0.00785   0.99995  -0.00648
           Z           -0.00168   0.00646   0.99998
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.07431     0.01173     0.01161
 Rotational constants (GHZ):           1.54839     0.24443     0.24190
 Zero-point vibrational energy     745942.0 (Joules/Mol)
                                  178.28441 (Kcal/Mol)
 Warning -- explicit consideration of  23 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     34.95    55.20    66.41    72.39   101.38
          (Kelvin)            136.84   256.49   291.02   319.25   329.62
                              346.11   363.50   414.20   464.98   501.54
                              554.47   591.41   602.26   611.02   688.10
                              735.65   849.64   888.63   923.42   957.43
                             1028.92  1097.43  1148.58  1190.53  1206.52
                             1228.03  1230.53  1259.33  1291.31  1347.62
                             1372.41  1384.47  1398.70  1405.71  1459.29
                             1505.11  1560.07  1578.46  1592.10  1638.54
                             1651.78  1671.33  1717.68  1743.52  1759.28
                             1779.33  1795.04  1841.78  1883.80  1898.26
                             1941.96  1962.02  1974.76  1978.31  2003.55
                             2019.31  2037.03  2047.13  2100.47  2137.41
                             2144.08  2146.77  2154.80  2156.33  2164.17
                             2174.02  2232.39  2328.46  2385.93  2597.99
                             4321.85  4342.98  4345.49  4354.91  4384.16
                             4397.41  4418.54  4428.12  4437.60  4445.85
                             4465.26  4475.72  4502.76  4546.66  4547.64
                             4571.40  4580.81  5356.95
 
 Zero-point correction=                           0.284114 (Hartree/Particle)
 Thermal correction to Energy=                    0.299817
 Thermal correction to Enthalpy=                  0.300761
 Thermal correction to Gibbs Free Energy=         0.239359
 Sum of electronic and zero-point Energies=           -656.740262
 Sum of electronic and thermal Energies=              -656.724559
 Sum of electronic and thermal Enthalpies=            -656.723615
 Sum of electronic and thermal Free Energies=         -656.785017
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  188.138             58.751            129.232
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.874
 Rotational               0.889              2.981             32.529
 Vibrational            186.361             52.790             54.829
 Vibration     1          0.593              1.985              6.248
 Vibration     2          0.594              1.982              5.342
 Vibration     3          0.595              1.979              4.976
 Vibration     4          0.595              1.977              4.805
 Vibration     5          0.598              1.968              4.140
 Vibration     6          0.603              1.953              3.552
 Vibration     7          0.629              1.869              2.346
 Vibration     8          0.639              1.837              2.112
 Vibration     9          0.648              1.808              1.944
 Vibration    10          0.652              1.797              1.886
 Vibration    11          0.658              1.778              1.799
 Vibration    12          0.664              1.758              1.712
 Vibration    13          0.685              1.696              1.486
 Vibration    14          0.708              1.629              1.294
 Vibration    15          0.726              1.578              1.173
 Vibration    16          0.754              1.501              1.018
 Vibration    17          0.775              1.446              0.923
 Vibration    18          0.781              1.430              0.897
 Vibration    19          0.787              1.417              0.876
 Vibration    20          0.835              1.298              0.715
 Vibration    21          0.866              1.225              0.630
 Vibration    22          0.948              1.052              0.466
 Vibration    23          0.977              0.995              0.420
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.799330-110       -110.097274       -253.508342
 Total V=0       0.385578D+21         20.586113         47.401276
 Vib (Bot)       0.239569-124       -124.620569       -286.949464
 Vib (Bot)    1  0.852638D+01          0.930765          2.143165
 Vib (Bot)    2  0.539327D+01          0.731852          1.685152
 Vib (Bot)    3  0.448023D+01          0.651300          1.499674
 Vib (Bot)    4  0.410873D+01          0.613708          1.413115
 Vib (Bot)    5  0.292685D+01          0.466401          1.073928
 Vib (Bot)    6  0.215982D+01          0.334417          0.770024
 Vib (Bot)    7  0.112732D+01          0.052046          0.119840
 Vib (Bot)    8  0.984916D+00         -0.006601         -0.015199
 Vib (Bot)    9  0.890734D+00         -0.050252         -0.115710
 Vib (Bot)   10  0.860054D+00         -0.065474         -0.150760
 Vib (Bot)   11  0.814911D+00         -0.088890         -0.204677
 Vib (Bot)   12  0.771537D+00         -0.112643         -0.259371
 Vib (Bot)   13  0.665041D+00         -0.177152         -0.407907
 Vib (Bot)   14  0.580555D+00         -0.236157         -0.543771
 Vib (Bot)   15  0.529755D+00         -0.275925         -0.635341
 Vib (Bot)   16  0.467390D+00         -0.330320         -0.760591
 Vib (Bot)   17  0.430072D+00         -0.366459         -0.843803
 Vib (Bot)   18  0.419926D+00         -0.376827         -0.867677
 Vib (Bot)   19  0.411980D+00         -0.385124         -0.886781
 Vib (Bot)   20  0.350229D+00         -0.455648         -1.049169
 Vib (Bot)   21  0.318201D+00         -0.497299         -1.145073
 Vib (Bot)   22  0.255318D+00         -0.592918         -1.365244
 Vib (Bot)   23  0.237370D+00         -0.624574         -1.438136
 Vib (V=0)       0.115563D+07          6.062818         13.960154
 Vib (V=0)    1  0.904103D+01          0.956218          2.201773
 Vib (V=0)    2  0.591640D+01          0.772058          1.777728
 Vib (V=0)    3  0.500804D+01          0.699668          1.611045
 Vib (V=0)    4  0.463905D+01          0.666429          1.534509
 Vib (V=0)    5  0.346926D+01          0.540236          1.243940
 Vib (V=0)    6  0.271694D+01          0.434080          0.999505
 Vib (V=0)    7  0.173322D+01          0.238855          0.549983
 Vib (V=0)    8  0.160456D+01          0.205357          0.472851
 Vib (V=0)    9  0.152147D+01          0.182264          0.419679
 Vib (V=0)   10  0.149483D+01          0.174593          0.402015
 Vib (V=0)   11  0.145607D+01          0.163184          0.375744
 Vib (V=0)   12  0.141939D+01          0.152100          0.350224
 Vib (V=0)   13  0.133203D+01          0.124515          0.286707
 Vib (V=0)   14  0.126619D+01          0.102498          0.236011
 Vib (V=0)   15  0.122845D+01          0.089358          0.205754
 Vib (V=0)   16  0.118444D+01          0.073512          0.169267
 Vib (V=0)   17  0.115952D+01          0.064277          0.148003
 Vib (V=0)   18  0.115295D+01          0.061809          0.142320
 Vib (V=0)   19  0.114786D+01          0.059890          0.137903
 Vib (V=0)   20  0.111046D+01          0.045502          0.104773
 Vib (V=0)   21  0.109266D+01          0.038487          0.088620
 Vib (V=0)   22  0.106142D+01          0.025885          0.059603
 Vib (V=0)   23  0.105348D+01          0.022628          0.052103
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.116324D+09          8.065668         18.571887
 Rotational      0.286832D+07          6.457627         14.869236
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3        33333333333333333                           111111111111111111111111111111111111                                       
     7        11111110000000000                           866555444444444333333322222111110000999998888887776665544443332222221      
     2        87663109877542210                           051510999986210977651084321964309841776539755329616419172118428542207975432
     3        47100140481677094                           688214982060363353409908732428977464722478554978355281185915938319228500684
 
     X        XXXXXXXXXXXXXXXXX                           XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX XXXXX XXXXXXXXXXX
     X             XXXX   XXX                             X  X           X            XX X X               X XXX                     
     X              XXX    XX                             X              X            XX X X                  XX                     
     X                X    X                              X              X            X  X X                  X                      
     X                                                    X                           X                       X                      
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000003321    0.000001557   -0.000001837
      2        6          -0.000002768   -0.000002496   -0.000003269
      3        6          -0.000001158   -0.000002431    0.000000219
      4        6           0.000011513    0.000005212    0.000000872
      5        6          -0.000008156    0.000002405   -0.000000196
      6        6           0.000003995    0.000003986   -0.000000756
      7        6           0.000001382    0.000012073   -0.000005762
      8        6           0.000001388    0.000001951    0.000000595
      9        6           0.000001265   -0.000005127   -0.000000404
     10        6           0.000005557   -0.000000273    0.000000035
     11        6          -0.000013397   -0.000014004    0.000006066
     12        6           0.000003451    0.000002078    0.000005816
     13        8           0.000000120   -0.000001064   -0.000001362
     14        8          -0.000001811    0.000003700   -0.000005881
     15        1           0.000000443   -0.000000785    0.000001092
     16        1           0.000001767   -0.000000461    0.000000654
     17        1           0.000001582   -0.000001735    0.000000304
     18        1          -0.000001630   -0.000001367    0.000000024
     19        1          -0.000001435   -0.000003148    0.000003747
     20        1          -0.000003296   -0.000003116    0.000001059
     21        1           0.000001435   -0.000002146   -0.000003834
     22        1          -0.000000642    0.000002588    0.000000597
     23        1           0.000000172   -0.000000913    0.000000236
     24        1          -0.000000024   -0.000000065    0.000000979
     25        1          -0.000002550   -0.000000838    0.000000184
     26        1           0.000000322   -0.000000240   -0.000000068
     27        1           0.000001257    0.000000900    0.000001073
     28        1           0.000002953    0.000000409    0.000001112
     29        6          -0.000002643    0.000006267   -0.000006788
     30        1           0.000001747   -0.000002503    0.000001501
     31        1           0.000000826    0.000000266    0.000001842
     32        1          -0.000000020   -0.000000715    0.000001787
     33        1           0.000001678    0.000000035    0.000000360
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000014004 RMS     0.000003633
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.220394D+03  0.914028D+01 -0.432178D+01
      2   0.914028D+01  0.138644D+03  0.699841D+01
      3  -0.432178D+01  0.699841D+01  0.151470D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.626647D+01 -0.118386D+01 -0.652587D+01
      2  -0.412048D+02 -0.150279D+02 -0.381881D+02
      3   0.269219D+02  0.569930D+02  0.819471D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.267124D+03 -0.722746D+02 -0.498738D+02
      2   0.143613D+03  0.675882D+02  0.208275D+01
      3   0.123511D+03  0.468636D+01  0.477910D+02
      4  -0.562582D+01 -0.104675D+03 -0.266368D+02
      5  -0.450442D+02 -0.246240D+02 -0.799840D+02
      6  -0.573129D+01 -0.218475D+02  0.196505D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.937886D+01  0.220318D+01 -0.695687D+00 -0.323843D+00 -0.658933D-01
      2   0.220318D+01 -0.218585D+00  0.320731D+00 -0.658933D-01 -0.383850D+01
      3  -0.695687D+00  0.320731D+00 -0.208458D+01  0.151986D+01 -0.164334D+01
                 6             7             8             9            10 
      1   0.151986D+01 -0.118609D+02 -0.108917D+01  0.126074D+00 -0.292272D+02
      2  -0.164334D+01 -0.108917D+01 -0.206961D+00  0.112503D+01 -0.305349D+01
      3   0.890172D+00  0.126074D+00  0.112503D+01 -0.193421D+01 -0.382386D+00
                11            12            13            14            15 
      1  -0.305349D+01 -0.382386D+00 -0.669530D+01 -0.500183D+01  0.136556D+01
      2  -0.183390D+01 -0.713479D+00 -0.500183D+01 -0.294524D+01  0.412342D+00
      3  -0.713479D+00 -0.284763D+01  0.136556D+01  0.412342D+00 -0.810153D+00
                16            17            18            19            20 
      1  -0.107540D+01  0.157947D+01 -0.104600D+01 -0.757889D+01 -0.249717D+01
      2   0.157947D+01  0.744464D+00 -0.199278D-02 -0.249717D+01  0.220106D+01
      3  -0.104600D+01 -0.199278D-02  0.161148D+01  0.172353D+00  0.149492D+01
                21            22            23            24            25 
      1   0.172353D+00 -0.798569D+01  0.234188D-01  0.709044D+00 -0.109981D+02
      2   0.149492D+01  0.234188D-01 -0.141416D+01 -0.166515D+01 -0.257678D+01
      3   0.162471D+01  0.709044D+00 -0.166515D+01  0.196039D+01  0.415733D+00
                26            27            28            29            30 
      1  -0.257678D+01  0.415733D+00  0.262212D+02  0.415718D+01 -0.134033D+01
      2  -0.122917D+01  0.124017D+01  0.415718D+01  0.241209D+01  0.147072D+00
      3   0.124017D+01 -0.252262D+01 -0.134033D+01  0.147072D+00  0.255539D+01
                31            32            33            34            35 
      1   0.389465D+01  0.545864D+01 -0.153986D+01 -0.659083D+00 -0.111999D+01
      2   0.545864D+01  0.220099D+01 -0.725522D+00 -0.111999D+01 -0.172229D+01
      3  -0.153986D+01 -0.725522D+00  0.165400D+01  0.922874D+00  0.209727D+00
                36            37            38            39            40 
      1   0.922874D+00 -0.116102D+02 -0.271325D+01  0.117136D+01 -0.495817D+00
      2   0.209727D+00 -0.271325D+01  0.240414D-01 -0.400249D+00  0.688779D+00
      3   0.803718D+00  0.117136D+01 -0.400249D+00  0.385582D+01 -0.165514D+01
                41            42            43            44            45 
      1   0.688779D+00 -0.165514D+01  0.132166D+02  0.922912D+00 -0.130532D+01
      2   0.398103D+01  0.203114D+01  0.922912D+00  0.848583D+00 -0.127538D+01
      3   0.203114D+01 -0.847076D+00 -0.130532D+01 -0.127538D+01  0.155325D+01
                46            47            48            49            50 
      1   0.978834D+01  0.248793D+01 -0.507839D+00  0.102438D+02 -0.540946D+00
      2   0.248793D+01 -0.194669D+01 -0.146963D+01 -0.540946D+00  0.114090D+01
      3  -0.507839D+00 -0.146963D+01 -0.270624D+01 -0.399660D+00  0.211061D+01
                51            52            53            54            55 
      1  -0.399660D+00  0.107320D+02  0.230273D+01  0.905466D+00  0.160319D+02
      2   0.211061D+01  0.230273D+01  0.137648D+01 -0.130216D+01 -0.733112D+00
      3  -0.325680D+01  0.905466D+00 -0.130216D+01  0.176803D+01  0.122494D+01
                56            57            58            59            60 
      1  -0.733112D+00  0.122494D+01 -0.428910D+01  0.434255D+01 -0.127771D+01
      2   0.143825D+01 -0.621147D+00  0.434255D+01  0.555380D+01  0.176551D+01
      3  -0.621147D+00  0.208825D+01 -0.127771D+01  0.176551D+01  0.187438D-01
                61            62            63            64            65 
      1   0.733349D+01 -0.880443D+00  0.395703D+01 -0.304444D+01  0.443359D+01
      2  -0.880443D+00  0.275873D+01  0.101614D+01  0.443359D+01 -0.786849D+00
      3   0.395703D+01  0.101614D+01 -0.450210D+01  0.166586D+00  0.131220D+01
                66            67            68            69            70 
      1   0.166586D+00  0.123697D+02 -0.167193D+01  0.230606D+01 -0.568186D+01
      2   0.131220D+01 -0.167193D+01 -0.456800D+01 -0.195524D+01  0.126105D+01
      3  -0.326624D+01  0.230606D+01 -0.195524D+01  0.362894D+00 -0.494295D+01
                71            72            73            74            75 
      1   0.126105D+01 -0.494295D+01 -0.342201D+01 -0.464278D+01  0.682609D+00
      2  -0.271940D+01  0.653978D-01 -0.464278D+01  0.977717D+00 -0.133782D+01
      3   0.653978D-01  0.589488D+01  0.682609D+00 -0.133782D+01  0.293314D+01
                76            77            78            79            80 
      1  -0.585585D+01  0.115390D+01 -0.171726D+01  0.160586D+01 -0.162764D+01
      2   0.115390D+01  0.227897D+01  0.258476D+01 -0.162764D+01  0.354179D+01
      3  -0.171726D+01  0.258476D+01 -0.949325D+00  0.399133D+01 -0.166343D+01
                81            82            83            84            85 
      1   0.399133D+01 -0.315057D+01 -0.416664D+01 -0.965943D-01 -0.655834D+01
      2  -0.166343D+01 -0.416664D+01  0.547769D+00 -0.173949D+01  0.204100D+01
      3  -0.435730D+01 -0.965943D-01 -0.173949D+01  0.346412D+01 -0.218744D+01
                86            87            88            89            90 
      1   0.204100D+01 -0.218744D+01  0.109138D+01 -0.183724D+01  0.512360D+01
      2   0.484778D+01  0.341281D+01 -0.183724D+01  0.338397D+01  0.299173D+00
      3   0.341281D+01 -0.251479D+00  0.512360D+01  0.299173D+00 -0.324291D+01
                91            92            93            94            95 
      1  -0.363466D+01  0.431845D+00 -0.655713D+00  0.359297D+01 -0.576005D+01
      2   0.431845D+00 -0.249863D+01  0.510803D+00 -0.576005D+01 -0.704660D+00
      3  -0.655713D+00  0.510803D+00 -0.124074D+01  0.115635D+01  0.131611D+01
                96            97            98            99           100 
      1   0.115635D+01  0.219232D+01  0.169241D+01 -0.219413D+01 -0.185358D+01
      2   0.131611D+01  0.169241D+01  0.311342D+01 -0.338277D+01 -0.293682D+00
      3  -0.278076D+01 -0.219413D+01 -0.338277D+01 -0.283313D+01  0.197276D+01
               101           102           103           104           105 
      1  -0.293682D+00  0.197276D+01 -0.471037D+00  0.206941D+01 -0.513202D+00
      2   0.162622D+01 -0.222798D-01  0.206941D+01 -0.237077D+01 -0.205454D+00
      3  -0.222798D-01 -0.100703D+01 -0.513202D+00 -0.205454D+00  0.190398D+01
               106           107           108           109           110 
      1   0.407579D+01 -0.174265D+01 -0.244536D+01  0.493405D+01 -0.124147D+01
      2  -0.174265D+01  0.698927D+00  0.252522D+01 -0.124147D+01  0.517052D+00
      3  -0.244536D+01  0.252522D+01  0.324397D+01 -0.381694D+01  0.292691D+00
               111           112           113           114           115 
      1  -0.381694D+01 -0.279224D+01  0.152630D+01  0.875388D+00 -0.902883D+01
      2   0.292691D+00  0.152630D+01 -0.155851D+01 -0.210857D+01  0.177872D+01
      3   0.227628D+01  0.875388D+00 -0.210857D+01 -0.186698D+01  0.414600D+01
               116           117           118           119           120 
      1   0.177872D+01  0.414600D+01 -0.670424D+00  0.169689D+01  0.137066D+01
      2  -0.310533D+01 -0.157022D+01  0.169689D+01 -0.301571D+01  0.220324D+00
      3  -0.157022D+01 -0.859845D+01  0.137066D+01  0.220324D+00  0.124108D+00
               121           122           123           124           125 
      1   0.205400D+01 -0.312266D+01  0.270224D+00  0.489202D+01 -0.124761D+01
      2  -0.312266D+01  0.345878D+01  0.104250D+01 -0.124761D+01  0.220088D+01
      3   0.270224D+00  0.104250D+01 -0.187212D+00  0.192113D+01 -0.203123D+01
               126           127           128           129           130 
      1   0.192113D+01 -0.201171D+01 -0.115550D+01 -0.160157D+01 -0.164499D+01
      2  -0.203123D+01 -0.115550D+01 -0.100881D+01 -0.108320D+01 -0.910815D+00
      3   0.451910D+01 -0.160157D+01 -0.108320D+01 -0.140878D+01 -0.156554D+01
               131           132           133           134           135 
      1  -0.910815D+00 -0.156554D+01 -0.183775D+01 -0.117278D+01 -0.203635D+01
      2  -0.142632D+01 -0.161732D+01 -0.117278D+01 -0.224165D+01 -0.275403D+01
      3  -0.161732D+01 -0.275174D+01 -0.203635D+01 -0.275403D+01 -0.523751D+01
               136           137           138           139           140 
      1   0.309510D+01 -0.185445D+00 -0.197992D+01 -0.487356D+00  0.177512D+00
      2  -0.185445D+00  0.399261D+00  0.210081D+00  0.177512D+00 -0.468890D+00
      3  -0.197992D+01  0.210081D+00  0.201642D+01  0.553389D+00 -0.496192D+00
               141           142           143           144           145 
      1   0.553389D+00 -0.276917D+01  0.734681D+00  0.279110D+01  0.202934D+01
      2  -0.496192D+00  0.734681D+00 -0.977550D+00 -0.116468D+01  0.126660D+01
      3  -0.153400D+01  0.279110D+01 -0.116468D+01 -0.500402D+01  0.179222D+01
               146           147           148           149           150 
      1   0.126660D+01  0.179222D+01  0.125824D+01  0.791295D+00  0.152597D+01
      2   0.994981D+00  0.113705D+01  0.791295D+00  0.102735D+01  0.147605D+01
      3   0.113705D+01  0.181746D+01  0.152597D+01  0.147605D+01  0.298607D+01
               151           152           153           154           155 
      1   0.177079D+01  0.116648D+01  0.224143D+01 -0.305663D+01  0.302304D+00
      2   0.116648D+01  0.207408D+01  0.272119D+01  0.302304D+00 -0.274520D+00
      3   0.224143D+01  0.272119D+01  0.618766D+01  0.256179D+01 -0.213790D+00
               156           157           158           159           160 
      1   0.256179D+01  0.229613D+00 -0.194670D+00 -0.445244D+00  0.293936D+01
      2  -0.213790D+00 -0.194670D+00  0.272328D+00  0.439375D+00 -0.696445D+00
      3  -0.296389D+01 -0.445244D+00  0.439375D+00  0.162457D+01 -0.327941D+01
               161           162           163           164           165 
      1  -0.696445D+00 -0.327941D+01 -0.227822D+01 -0.786670D-01  0.158974D+01
      2   0.888524D+00  0.113453D+01 -0.786670D-01 -0.698917D+00  0.604077D+00
      3   0.113453D+01  0.647224D+01  0.158974D+01  0.604077D+00 -0.174357D+01
               166           167           168           169           170 
      1   0.175071D+01 -0.675143D+00  0.224440D+00  0.373259D+01  0.796162D+00
      2  -0.675143D+00 -0.860942D+00  0.665770D+00  0.796162D+00  0.121761D+01
      3   0.224440D+00  0.665770D+00 -0.923071D-01 -0.222927D+01 -0.147600D+01
               171           172           173           174           175 
      1  -0.222927D+01 -0.182206D+01 -0.125816D+01 -0.602049D+00 -0.344893D+01
      2  -0.147600D+01 -0.125816D+01 -0.975324D+00  0.264090D-01 -0.273169D+01
      3   0.568505D+01 -0.602049D+00  0.264090D-01 -0.245829D+00 -0.316546D+00
               176           177           178           179           180 
      1  -0.273169D+01 -0.316546D+00 -0.446079D+01 -0.878997D+00 -0.112621D+01
      2  -0.831828D+01 -0.985257D+00 -0.878997D+00 -0.238226D+01 -0.124402D+01
      3  -0.985257D+00 -0.856813D+00 -0.112621D+01 -0.124402D+01 -0.419298D+00
               181           182           183           184           185 
      1   0.196293D+01 -0.743406D+00 -0.124774D+01 -0.152946D+01  0.228151D+00
      2  -0.743406D+00  0.464256D+00 -0.257914D+00  0.228151D+00  0.577699D+00
      3  -0.124774D+01 -0.257914D+00  0.147651D+01 -0.200271D+00 -0.629813D+00
               186           187           188           189           190 
      1  -0.200271D+00 -0.219086D+01 -0.227107D+00  0.101125D+01 -0.134922D+01
      2  -0.629813D+00 -0.227107D+00 -0.101160D+01  0.212287D-01  0.920997D+00
      3   0.127393D+00  0.101125D+01  0.212287D-01 -0.668087D+01  0.134418D+01
               191           192           193           194           195 
      1   0.920997D+00  0.134418D+01  0.414655D+00 -0.490352D+00  0.325278D-01
      2  -0.905713D+00 -0.300554D+00 -0.490352D+00  0.350025D+00  0.552786D+00
      3  -0.300554D+00 -0.190824D+01  0.325278D-01  0.552786D+00  0.254524D+00
               196           197           198           199           200 
      1   0.244536D+01 -0.647800D+00 -0.226779D+01 -0.392045D+01  0.315183D+01
      2  -0.647800D+00  0.171360D+01  0.150338D+01  0.315183D+01 -0.300458D+01
      3  -0.226779D+01  0.150338D+01  0.604109D+01 -0.146329D+01  0.106694D+01
               201           202           203           204           205 
      1  -0.146329D+01  0.289123D+01 -0.298409D+01  0.120281D+01 -0.280511D+01
      2   0.106694D+01 -0.298409D+01  0.428102D+01 -0.180748D+01  0.195617D+01
      3  -0.145612D+01  0.120281D+01 -0.180748D+01  0.132281D+01 -0.196500D+01
               206           207           208           209           210 
      1   0.195617D+01 -0.196500D+01  0.787969D+01  0.161536D+01  0.225393D+00
      2  -0.306941D+01  0.181659D+01  0.161536D+01  0.272712D+01  0.140662D+00
      3   0.181659D+01 -0.163990D+01  0.225393D+00  0.140662D+00  0.481165D+00
               211           212           213           214           215 
      1   0.159241D+01  0.158509D+01  0.115474D+00  0.402151D+00  0.100174D-01
      2   0.158509D+01  0.194708D+01 -0.147587D+00  0.100174D-01 -0.359368D+00
      3   0.115474D+00 -0.147587D+00  0.570920D+00  0.894133D-01  0.650328D+00
               216           217           218           219           220 
      1   0.894133D-01 -0.289659D+01 -0.894309D-01  0.171460D+01  0.393851D+00
      2   0.650328D+00 -0.894309D-01 -0.584849D+00  0.371337D+00 -0.919278D+00
      3   0.374228D+00  0.171460D+01  0.371337D+00 -0.196733D+01  0.291146D+00
               221           222           223           224           225 
      1  -0.919278D+00  0.291146D+00  0.467521D+01  0.945579D+00 -0.325783D+01
      2  -0.752369D+00  0.389402D+00  0.945579D+00  0.115830D+01 -0.641806D+00
      3   0.389402D+00 -0.189047D+00 -0.325783D+01 -0.641806D+00  0.520006D+01
               226           227           228           229           230 
      1  -0.159512D+00 -0.701569D+00 -0.357926D+00 -0.251301D+01 -0.251466D+01
      2  -0.701569D+00 -0.392365D+00 -0.472305D-01 -0.251466D+01 -0.762579D+01
      3  -0.357926D+00 -0.472305D-01 -0.393426D+00 -0.736250D+00 -0.245624D+01
               231           232           233           234           235 
      1  -0.736250D+00 -0.124737D+01 -0.647505D+00 -0.128154D+01 -0.628915D+01
      2  -0.245624D+01 -0.647505D+00 -0.263129D+01 -0.164549D+01  0.187479D+01
      3  -0.182848D+01 -0.128154D+01 -0.164549D+01 -0.131236D+01 -0.252299D+01
               236           237           238           239           240 
      1   0.187479D+01 -0.252299D+01  0.517780D+01 -0.202221D+01  0.188166D+01
      2  -0.128654D+01  0.921507D+00 -0.202221D+01  0.158183D+01 -0.140862D+01
      3   0.921507D+00 -0.204967D+01  0.188166D+01 -0.140862D+01  0.161349D+01
               241           242           243           244           245 
      1  -0.446646D+01  0.108589D+01 -0.321910D+01 -0.158220D+00  0.279719D+00
      2   0.108589D+01 -0.157195D+01  0.924229D+00  0.279719D+00  0.688771D+00
      3  -0.321910D+01  0.924229D+00 -0.241819D+01  0.166067D+01  0.330649D+00
               246           247           248           249           250 
      1   0.166067D+01  0.503847D+00  0.127177D+01  0.487271D+00  0.296226D+01
      2   0.330649D+00  0.127177D+01  0.171201D+01  0.114108D+01  0.698842D+00
      3   0.999467D+00  0.487271D+00  0.114108D+01  0.171923D+01  0.167472D+01
               251           252           253           254           255 
      1   0.698842D+00  0.167472D+01 -0.781357D+01 -0.539219D+01  0.792003D+00
      2   0.168411D+01  0.166117D+01 -0.539219D+01  0.185593D+01  0.348424D+00
      3   0.166117D+01  0.504897D+01  0.792003D+00  0.348424D+00  0.972981D+00
               256           257           258           259           260 
      1  -0.188137D+01  0.343940D+01 -0.649123D+00 -0.319339D+01 -0.115022D+01
      2   0.343940D+01 -0.289793D+00 -0.211591D+01 -0.115022D+01 -0.356075D+01
      3  -0.649123D+00 -0.211591D+01  0.296209D+01  0.229500D+01  0.284322D+01
               261           262           263           264           265 
      1   0.229500D+01  0.390693D+01 -0.309942D+01  0.966011D+00 -0.401412D+01
      2   0.284322D+01 -0.309942D+01  0.316168D+01 -0.668233D+00  0.441098D+01
      3   0.245972D+01  0.966011D+00 -0.668233D+00  0.906160D+00 -0.909604D+00
               266           267           268           269           270 
      1   0.441098D+01 -0.909604D+00 -0.950947D+00  0.956033D+00  0.435276D+00
      2  -0.626489D+01  0.117229D+01  0.956033D+00 -0.106838D+01 -0.459813D+00
      3   0.117229D+01 -0.136591D+01  0.435276D+00 -0.459813D+00  0.386815D+00
               271           272           273           274           275 
      1  -0.142917D+01  0.196379D+01  0.111203D+00  0.196672D+01 -0.148193D+01
      2   0.196379D+01 -0.348760D+01  0.264026D+00 -0.148193D+01  0.646253D+01
      3   0.111203D+00  0.264026D+00 -0.791945D+00 -0.691550D-01 -0.306324D-01
               276           277           278           279           280 
      1  -0.691550D-01  0.809820D+00 -0.120059D-01 -0.455110D+00  0.249317D+00
      2  -0.306324D-01 -0.120059D-01  0.147795D+01  0.456585D+00  0.183880D+00
      3   0.703289D+00 -0.455110D+00  0.456585D+00  0.401288D-02 -0.714399D+00
               281           282           283           284           285 
      1   0.183880D+00 -0.714399D+00 -0.687926D+00 -0.571550D+00  0.120778D+00
      2  -0.540691D+00  0.119670D+00 -0.571550D+00 -0.665896D+00 -0.214249D+00
      3   0.119670D+00 -0.802116D+00  0.120778D+00 -0.214249D+00 -0.128444D+01
               286           287           288           289           290 
      1  -0.166599D+01 -0.343993D+00  0.359319D-01  0.118989D+02  0.507550D+01
      2  -0.343993D+00 -0.141681D+01  0.537700D-01  0.507550D+01  0.342408D+01
      3   0.359319D-01  0.537700D-01 -0.606803D+01 -0.153372D+01 -0.964557D+00
               291           292           293           294           295 
      1  -0.153372D+01  0.334014D+01  0.245150D+01 -0.455973D+00  0.149606D-01
      2  -0.964557D+00  0.245150D+01  0.239890D+01 -0.299954D+00  0.112360D-01
      3   0.129139D+01 -0.455973D+00 -0.299954D+00  0.177950D+00  0.968013D+00
               296           297 
      1   0.112360D-01  0.968013D+00
      2   0.392754D+00  0.345933D+00
      3   0.345933D+00 -0.483360D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.211348D+01  0.614194D+00 -0.282342D+01  0.558270D+01  0.109877D+01
      2  -0.147261D+02  0.216227D+01  0.850506D+01  0.418596D+01 -0.546148D+00
      3  -0.293263D+01 -0.343487D+01 -0.389372D+01  0.126737D+02 -0.210980D+00
                 6             7             8             9            10 
      1  -0.278172D+01 -0.493685D+01  0.249705D+01  0.656973D+00 -0.518999D+01
      2  -0.858446D+00  0.431923D+01 -0.146922D+01 -0.469217D+01  0.181077D+02
      3  -0.353341D+01 -0.189635D+01  0.906786D+00  0.482564D+01  0.196674D+01
                11            12            13            14            15 
      1   0.518441D+00  0.174894D+01  0.895187D+00 -0.518311D+01 -0.760304D+01
      2   0.150315D+01 -0.300334D+01 -0.640633D+00  0.173365D+01 -0.182602D+01
      3   0.150233D+01  0.858671D+00  0.122803D+02 -0.402450D+00 -0.102840D+01
                16            17            18            19            20 
      1   0.868778D+01 -0.221611D+00  0.417420D+01 -0.100847D+01 -0.986761D+00
      2  -0.228824D+02 -0.177941D+01  0.342833D+01  0.100292D+02  0.277833D+01
      3   0.618205D+01 -0.164741D+01 -0.362548D+01 -0.495493D+01 -0.127312D+01
                21            22            23            24            25 
      1   0.879741D+00 -0.719042D+01 -0.378255D+01 -0.222615D+01  0.993628D+00
      2   0.502185D+01  0.808399D+01  0.387855D+01  0.188657D+01  0.316718D+01
      3  -0.436807D+00  0.108511D+02  0.302723D+01  0.236859D+01 -0.566577D+01
                26            27            28            29            30 
      1   0.263671D+01 -0.194798D+01  0.253422D+01  0.269857D+01  0.408071D+01
      2   0.190020D+01  0.182414D+01 -0.150780D+02 -0.386466D+01 -0.103815D+01
      3  -0.368345D+00 -0.207720D+01 -0.340363D+01 -0.382038D+00  0.166675D+01
                31            32            33            34            35 
      1   0.639380D+01 -0.182532D+01 -0.806547D+01  0.667347D+01 -0.212232D+00
      2  -0.671805D+01 -0.540354D+01 -0.194433D+01 -0.237773D+02 -0.264309D+01
      3   0.987235D+01  0.435243D+01 -0.198432D+00  0.334596D+01  0.269816D+01
                36            37            38            39            40 
      1   0.393989D+01 -0.371599D+01  0.647741D-01 -0.109489D+01  0.411877D+01
      2   0.253660D+01  0.609453D+01  0.504237D+01  0.460464D+01  0.450361D+01
      3  -0.321144D+01 -0.161969D+01 -0.255942D+01 -0.344862D+01  0.990330D+01
                41            42            43            44            45 
      1   0.412798D+01 -0.729939D+00 -0.595356D+00  0.288105D+01  0.919607D-01
      2   0.887933D+00 -0.189014D+00 -0.129684D+02 -0.305295D+01 -0.318565D+00
      3  -0.860990D+00 -0.401313D+01  0.121738D+01 -0.142997D+01  0.355918D+01
                46            47            48            49            50 
      1   0.473018D+01 -0.228089D+01 -0.952051D+00 -0.645092D+01 -0.913737D+00
      2  -0.745638D+01 -0.218850D+01  0.392607D+01 -0.486508D+01  0.437715D+00
      3  -0.453480D+01 -0.132462D+01 -0.362434D+00  0.927312D+01  0.255916D+01
                51            52            53            54            55 
      1  -0.203916D+01  0.450201D+01  0.380488D+01 -0.667367D+00  0.449731D+01
      2   0.265497D+01 -0.103451D+02 -0.120318D+01 -0.163616D+00 -0.868612D+01
      3   0.354956D+01 -0.651776D+01  0.765321D+00 -0.176786D+01 -0.118772D+02
                56            57            58            59            60 
      1  -0.141538D+01  0.128175D+01 -0.342553D+01  0.651818D+01 -0.134464D+01
      2   0.162337D+01 -0.337295D+01  0.427120D+01 -0.999957D+01 -0.249359D+00
      3   0.298505D+01 -0.261601D+01  0.253679D+02  0.142106D+02  0.759217D+01
                61            62            63            64            65 
      1   0.476934D+01  0.359285D+01 -0.568591D+01 -0.478815D+01  0.516446D+00
      2  -0.251259D+02 -0.316336D+01  0.163562D+02  0.438997D+01 -0.388112D+01
      3  -0.856988D+01  0.931729D+01 -0.189521D+01  0.245826D+02 -0.750347D+01
                66            67            68            69            70 
      1  -0.326711D+00  0.454651D+00  0.135329D+01 -0.142608D+01 -0.416742D+01
      2   0.170377D+02 -0.104247D+02  0.971887D+01  0.543368D+00  0.189209D+02
      3   0.591711D+01 -0.745425D+01 -0.175503D+02 -0.860029D+01  0.110253D+02
                71            72            73            74            75 
      1   0.505631D+01 -0.403614D+00 -0.321699D+00  0.295762D+01 -0.581527D+01
      2  -0.498055D+00 -0.294141D+02 -0.169982D+01  0.708412D+01 -0.101256D+02
      3  -0.106491D+02  0.232415D+01 -0.281218D+02 -0.810321D+01 -0.510477D+01
                76            77            78            79            80 
      1   0.360476D+01 -0.724317D+01  0.575769D+00 -0.771918D+01  0.602277D+01
      2   0.897204D+01 -0.102554D+02  0.433417D+01 -0.182636D+02  0.701963D+01
      3  -0.290088D+01  0.994461D+01  0.752671D+01 -0.631494D+01  0.105944D+02
                81            82            83            84            85 
      1   0.818795D+01  0.239255D+01 -0.120553D+01  0.350184D+01 -0.239592D+01
      2   0.175512D+02 -0.220556D+01  0.733562D+01 -0.182915D+02  0.935140D+01
      3  -0.149837D+01 -0.210545D+02  0.475076D+01 -0.965419D+01  0.207821D+02
                86            87            88            89            90 
      1  -0.101461D+00 -0.325566D+01  0.527224D+01  0.670924D-01 -0.191401D+01
      2  -0.192044D+02 -0.120837D+01 -0.331495D+02 -0.352664D+01  0.205236D+02
      3   0.275171D+02  0.215344D+02 -0.103609D+02  0.201901D+02 -0.218628D+01
                91            92            93            94            95 
      1  -0.180802D+01 -0.603977D+00  0.220876D+01  0.110931D+01 -0.627088D+00
      2   0.313882D+00  0.145152D+01  0.418303D+00  0.206169D+01  0.620803D+01
      3  -0.110834D+02  0.283358D+01 -0.128161D+01  0.313320D+02 -0.152069D+01
                96            97            98            99           100 
      1  -0.793033D+00  0.514287D+01  0.756081D+01  0.223969D+01  0.217251D+01
      2  -0.102238D+02 -0.151510D+02 -0.118478D+02 -0.100291D+02  0.191996D+01
      3  -0.448660D+01 -0.193959D+01 -0.746304D+01  0.872682D+01  0.231086D+02
               101           102           103           104           105 
      1   0.308388D+01 -0.603533D+01 -0.735391D+00  0.105140D+01 -0.366487D+01
      2  -0.586864D+00  0.777283D-01 -0.233111D+00 -0.182567D+01  0.157816D+02
      3  -0.110161D+02  0.180753D+01 -0.157596D+01 -0.469965D+01 -0.650593D+00
               106           107           108           109           110 
      1  -0.414755D+01 -0.481790D+01  0.143054D+01 -0.174933D+01 -0.329968D+01
      2  -0.826250D+01  0.103335D+02  0.167813D+02 -0.107144D+02  0.817646D+00
      3   0.814813D+01 -0.623715D+01 -0.866355D+01 -0.210570D+01 -0.439516D+01
               111           112           113           114           115 
      1   0.293234D+01 -0.901452D+00  0.109382D+01 -0.299583D+01  0.438250D+00
      2   0.109463D+02 -0.543643D+00 -0.800204D+01 -0.104039D+02  0.676847D+01
      3  -0.457944D+00 -0.528662D+01  0.993594D+01  0.863280D+01 -0.926453D+01
               116           117           118           119           120 
      1   0.781822D+01 -0.596084D+01  0.294954D+01 -0.117705D+01  0.705689D+00
      2  -0.520703D+01 -0.362459D+02  0.595164D+01 -0.699901D+00  0.238288D+01
      3   0.139137D+02  0.701543D+01 -0.821770D+01  0.822151D+01 -0.248466D+01
               121           122           123           124           125 
      1  -0.185708D+01  0.272199D+01 -0.202106D+01 -0.260509D+01  0.673348D+01
      2   0.168617D+01  0.678461D+01 -0.261624D+01  0.655596D+00 -0.553543D+01
      3   0.103886D+02 -0.898848D+01 -0.434347D+01  0.378060D+01 -0.888924D+01
               126           127           128           129           130 
      1   0.500094D+01 -0.425131D+00  0.127814D+01 -0.418522D+00 -0.775110D+00
      2   0.185629D+02 -0.396848D+01 -0.604559D+00 -0.355509D+00 -0.189347D+01
      3   0.661892D+01  0.226580D+01 -0.226868D+00  0.603080D+00  0.316269D+01
               131           132           133           134           135 
      1   0.382260D+00 -0.326828D+01 -0.936472D+00  0.227483D+01 -0.248201D+01
      2   0.176619D+00  0.557822D+00 -0.320273D+01  0.466006D+00  0.211137D+01
      3  -0.920468D+00  0.195041D+00  0.182431D+01 -0.170138D+01 -0.323661D+00
               136           137           138           139           140 
      1  -0.128194D+01 -0.166652D+01  0.178823D+01 -0.160060D+00  0.212485D+00
      2   0.567319D+01 -0.159392D+00 -0.610765D+00  0.782921D+00  0.692346D-01
      3  -0.269980D+01 -0.998430D+00  0.119574D+01  0.819561D+00  0.653962D+00
               141           142           143           144           145 
      1  -0.156796D+01  0.739867D+00  0.301548D+01 -0.106708D+01  0.141532D+01
      2  -0.954309D+00 -0.483207D+01  0.181747D+00 -0.122882D+01 -0.455792D+01
      3  -0.185545D+00  0.163488D+01  0.164977D+01 -0.955768D+00  0.773165D+00
               146           147           148           149           150 
      1   0.242283D+01  0.597365D+00  0.261894D+00  0.131595D+01 -0.163452D+01
      2  -0.147062D+01 -0.929555D+00 -0.274027D+01 -0.702214D+00 -0.429573D+00
      3  -0.806537D+00  0.345466D-01  0.195560D+01 -0.619320D+00 -0.129749D+00
               151           152           153           154           155 
      1   0.648633D+00  0.431044D+01  0.267879D+00  0.202603D+00 -0.201196D+01
      2  -0.396163D+01 -0.441945D+00  0.756327D+00  0.593327D+01 -0.477757D+00
      3   0.721343D+00 -0.216996D+01 -0.874921D+00 -0.107446D+01 -0.127090D+01
               156           157           158           159           160 
      1   0.651947D+00  0.181562D+00  0.536648D+00 -0.110195D+01 -0.126985D+01
      2  -0.822309D+00  0.393227D+00  0.202370D-02 -0.107947D+01 -0.520036D+01
      3   0.494393D+00  0.147422D+01  0.449583D+00  0.159751D+00  0.219184D-01
               161           162           163           164           165 
      1   0.390979D+01  0.127582D+01  0.178579D+01 -0.357040D+00 -0.191683D+01
      2   0.387526D+00 -0.107740D+01 -0.441086D+01 -0.196509D+01  0.666018D+01
      3   0.190580D+01 -0.373645D+00  0.267928D+01 -0.325266D+01  0.775532D-01
               166           167           168           169           170 
      1   0.683823D+00  0.163178D+00 -0.102415D+01 -0.203723D+01  0.156662D+01
      2  -0.190829D+01 -0.128037D+01 -0.115715D+00  0.126019D+01  0.399213D+01
      3  -0.136313D+01 -0.190499D+01  0.133897D+01 -0.162485D+01  0.369477D+01
               171           172           173           174           175 
      1   0.696565D+01 -0.117332D+01 -0.256310D+00 -0.989254D+00 -0.143254D+01
      2  -0.177492D+02  0.384767D+01  0.696102D+00  0.254330D+01  0.264764D+01
      3  -0.112820D+01 -0.154701D+01 -0.286023D+01  0.378463D+00 -0.174354D+01
               176           177           178           179           180 
      1  -0.464869D+01 -0.417298D+01 -0.188440D+01 -0.169740D+01 -0.133863D+01
      2   0.614283D+01  0.348378D+01  0.400387D+01  0.447975D+01  0.118741D+01
      3  -0.229469D+02 -0.222687D+01  0.174053D+01 -0.710685D+01 -0.224650D+01
               181           182           183           184           185 
      1   0.156056D+01 -0.123096D+01  0.586849D-01 -0.341089D+00 -0.604571D+00
      2   0.986174D+01  0.340424D+00 -0.682915D+01 -0.395405D+00  0.294636D+01
      3  -0.319047D+01  0.119328D+01 -0.683793D+00  0.324095D+01  0.232993D+01
               186           187           188           189           190 
      1  -0.740602D+00 -0.317888D+00  0.318603D+01  0.356502D+00 -0.256117D+01
      2  -0.337811D+00 -0.105160D+02 -0.110729D+00  0.281085D+02 -0.480487D+01
      3  -0.236991D+01 -0.728645D+00 -0.327098D+01  0.191869D+00  0.232415D+01
               191           192           193           194           195 
      1  -0.304785D+00  0.384476D+01  0.106295D+00 -0.967057D+00 -0.174317D+01
      2   0.115624D+01  0.814510D+01 -0.219047D+00 -0.184849D+01 -0.633340D+00
      3  -0.342098D+01  0.540499D+00  0.799129D-01  0.434473D+00  0.177497D+01
               196           197           198           199           200 
      1   0.407369D+01  0.574447D+00 -0.118758D+02  0.267730D+01 -0.151037D+01
      2   0.487321D+01 -0.563788D+01 -0.243388D+02  0.587292D+01 -0.463953D+01
      3   0.173648D+01  0.716614D+01  0.304296D+01  0.604095D+01 -0.944782D+01
               201           202           203           204           205 
      1   0.432782D+01 -0.300260D+01  0.282175D+01 -0.434100D+01  0.380673D+01
      2   0.776810D+01 -0.471419D+01  0.762186D+01 -0.668394D+01  0.685621D+01
      3   0.198730D+01 -0.418727D+01  0.136416D+02 -0.496410D+01  0.267655D+01
               206           207           208           209           210 
      1  -0.155693D+01  0.372778D+01 -0.185046D+01 -0.217237D+00 -0.216058D+01
      2  -0.748317D+01  0.717627D+01 -0.266899D+01 -0.790473D+00 -0.722598D+00
      3  -0.104770D+02  0.442651D+01  0.259359D+02  0.121226D+02  0.129419D+01
               211           212           213           214           215 
      1  -0.571068D+00  0.360618D+00 -0.191199D+01 -0.161009D+01  0.200702D+00
      2  -0.932538D+00  0.297968D+00 -0.950768D+00 -0.345404D+01 -0.201001D+01
      3   0.123245D+02  0.925939D+01 -0.269205D+00  0.158947D+01 -0.120334D+01
               216           217           218           219           220 
      1  -0.111881D+01  0.133757D+01 -0.120189D+00 -0.186572D+01  0.611871D+00
      2  -0.153491D+01 -0.107916D+02 -0.219339D+01  0.133468D+02 -0.165665D+01
      3   0.281187D+01  0.147983D+01 -0.439152D+01  0.765150D+00 -0.370043D+01
               221           222           223           224           225 
      1   0.417500D+00 -0.118970D+01 -0.228053D+01  0.166648D+01  0.403101D+01
      2  -0.231366D+01  0.140807D+01  0.167589D+02  0.368807D+01 -0.318055D+02
      3  -0.342597D+01  0.157492D+01  0.163007D+01  0.681053D+01 -0.872060D+00
               226           227           228           229           230 
      1   0.344858D+00  0.258884D+00 -0.371735D+00  0.786521D+00  0.351528D+01
      2   0.225346D+01 -0.161382D+00  0.247324D+01  0.167088D+01  0.126711D+02
      3  -0.412779D+01 -0.269918D+01 -0.124056D+00 -0.791605D+01 -0.400657D+02
               231           232           233           234           235 
      1  -0.263773D+01 -0.538200D+00  0.157846D+01 -0.638481D+00 -0.280708D+01
      2   0.104201D+02  0.466970D+01  0.863868D+01  0.625121D+01  0.963907D+01
      3  -0.128866D+02 -0.177962D+01 -0.142759D+02 -0.770618D+01  0.137103D+02
               236           237           238           239           240 
      1   0.221811D+01 -0.130350D+01  0.214926D+01 -0.266064D+01  0.639108D+00
      2  -0.400564D+01  0.125227D+02 -0.696609D+01  0.689309D+01 -0.896372D+01
      3  -0.108709D+02  0.680335D+01 -0.122416D+02  0.110050D+02 -0.894768D+01
               241           242           243           244           245 
      1  -0.224805D+01  0.322095D+01 -0.137619D+01 -0.190864D+01  0.322265D-01
      2   0.136897D+02 -0.453603D+01  0.122254D+02  0.587993D+01  0.140107D+01
      3   0.819125D+01 -0.107413D+02  0.704979D+01 -0.102254D+01 -0.272614D+01
               246           247           248           249           250 
      1  -0.114059D+01 -0.469522D+00 -0.182121D+00 -0.233185D+01 -0.115913D+01
      2   0.322158D+01  0.128840D+01  0.299506D+01  0.563079D+01  0.354035D+00
      3   0.234077D+00 -0.186914D+01 -0.406311D+01 -0.286980D+01  0.371184D+00
               251           252           253           254           255 
      1   0.145674D+01 -0.494458D+01  0.344870D+01 -0.347628D+01 -0.429538D+01
      2   0.483944D+01  0.157161D+02 -0.567388D+01 -0.475035D+01  0.720004D+01
      3  -0.435194D+01 -0.396151D+01  0.195753D+01 -0.195603D+02  0.188039D+00
               256           257           258           259           260 
      1  -0.731573D+00  0.745106D+01 -0.676223D+01 -0.436313D+01 -0.145445D+01
      2  -0.659128D+01 -0.593219D+01  0.102877D+02  0.768168D+01  0.108249D+02
      3  -0.160880D+02  0.660833D+01  0.693266D+01  0.122408D+01  0.103408D+02
               261           262           263           264           265 
      1  -0.107679D+02 -0.231025D+01  0.266064D+01  0.108740D+01  0.377069D+01
      2   0.108739D+02  0.435262D+00 -0.421715D-01  0.346143D+01  0.604286D-01
      3  -0.658611D+01  0.801876D+01 -0.105377D+02  0.265771D+01 -0.123217D+02
               266           267           268           269           270 
      1  -0.519261D+01 -0.144635D+01  0.405053D+00 -0.343549D+00 -0.104618D+01
      2   0.741520D+00 -0.531288D+01  0.131025D+01 -0.182273D+01  0.409846D+00
      3   0.225348D+02 -0.388936D+01 -0.296031D+01  0.408356D+01  0.148155D+01
               271           272           273           274           275 
      1  -0.250494D+01  0.274665D+01  0.329563D+01  0.194474D+01 -0.594416D+01
      2  -0.153511D+01  0.243857D+01 -0.144511D+01  0.187770D+01 -0.209884D+01
      3  -0.115748D+02  0.136118D+02  0.602730D-01  0.113339D+02 -0.226919D+02
               276           277           278           279           280 
      1  -0.349519D+01  0.198985D+01 -0.950174D+00 -0.911414D+00  0.236281D+01
      2   0.107008D+01 -0.209799D+01  0.830439D+00 -0.438333D+00 -0.386397D+01
      3  -0.383366D+00  0.232563D+01 -0.443295D+01 -0.251622D+01 -0.509932D+00
               281           282           283           284           285 
      1   0.140321D+01  0.191942D+01  0.130650D+01  0.303196D+01  0.263084D+01
      2  -0.257440D+00 -0.313964D+01 -0.222866D+01 -0.176770D+01 -0.448043D+01
      3   0.158129D+01 -0.139334D+01  0.195872D+01  0.123048D+01  0.677278D+00
               286           287           288           289           290 
      1   0.118110D+01  0.475360D+01  0.140189D+02 -0.112073D+01 -0.135371D+01
      2  -0.428424D+01 -0.737613D+00 -0.196596D+02  0.447927D+01  0.406920D+00
      3  -0.168834D+01  0.350752D+01 -0.389696D+00  0.623842D+01 -0.506937D+01
               291           292           293           294           295 
      1  -0.340125D+01 -0.136272D+01 -0.179671D+01 -0.126836D+01 -0.193742D+01
      2   0.616213D+01  0.183386D+01  0.973195D+00  0.140236D+01  0.197962D+01
      3   0.880855D+00 -0.219859D+00 -0.425166D+01 -0.430997D-01 -0.756194D-01
               296           297 
      1   0.197770D+00  0.127788D+01
      2   0.553176D+00 -0.152295D+01
      3  -0.112878D+01  0.785177D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.560723D+01 -0.474445D+01 -0.208834D+02  0.104501D+02 -0.123746D+02
      2  -0.457828D+00 -0.382964D-01  0.365349D+01 -0.104109D+01  0.198882D+02
      3   0.606506D+01  0.478275D+01  0.172299D+02 -0.940900D+01 -0.751364D+01
      4  -0.668846D+01 -0.337290D+01 -0.833863D+01  0.275081D+01 -0.145311D+01
      5  -0.185598D+02 -0.692267D+01  0.128532D+01 -0.718451D+01 -0.207293D+01
      6  -0.990880D+01 -0.193566D+00 -0.234029D+00 -0.310919D+01  0.118510D+01
                 6             7             8             9            10 
      1  -0.436474D+01  0.281260D+02  0.109076D+02  0.138974D+02  0.521640D+02
      2   0.846625D+01 -0.694890D+01 -0.105644D+01 -0.615111D+01 -0.194815D+02
      3  -0.410150D+01 -0.211771D+02 -0.985115D+01 -0.774625D+01 -0.326825D+02
      4  -0.136374D+01  0.514850D+01  0.167261D+01 -0.389795D+01  0.463965D+01
      5  -0.696878D+01  0.140827D+02 -0.358915D+01 -0.384443D+01  0.752941D+01
      6   0.183757D+01 -0.548819D+01 -0.354998D+01 -0.111591D+02  0.910805D+00
                11            12            13            14            15 
      1   0.430613D+01  0.417764D+01  0.193247D+01 -0.269536D+01 -0.653995D+01
      2  -0.105805D+00  0.301983D+01  0.351771D+01  0.783853D+01  0.289028D+01
      3  -0.420032D+01 -0.719747D+01 -0.545018D+01 -0.514317D+01  0.364967D+01
      4   0.479529D+00  0.352239D+01  0.145201D+02  0.425233D+01  0.149252D+00
      5   0.462621D+01  0.635647D+01 -0.948923D+01  0.726340D+00  0.222347D+01
      6   0.640087D+00  0.225862D+01 -0.782647D+01 -0.585252D+01  0.956114D+01
                16            17            18            19            20 
      1   0.103948D+02 -0.716516D+01 -0.166962D+02  0.476365D+01  0.120559D+02
      2  -0.568063D+01 -0.498162D+01  0.120445D+01  0.469274D+01 -0.951054D+01
      3  -0.471415D+01  0.121468D+02  0.154917D+02 -0.945639D+01 -0.254534D+01
      4  -0.122574D+02 -0.151383D+00 -0.142968D+01  0.167718D+01  0.600994D+01
      5  -0.142693D+02 -0.309675D+00 -0.228034D+01  0.185528D+02  0.317584D+01
      6  -0.334233D+01  0.835279D+00  0.629897D+01  0.733953D+01 -0.222763D+01
                21            22            23            24            25 
      1   0.217686D+02 -0.916814D+01 -0.279752D+01  0.156764D+02 -0.200109D+02
      2  -0.947427D+01 -0.187757D+01  0.639760D+01  0.162349D+00  0.319018D+01
      3  -0.122944D+02  0.110457D+02 -0.360008D+01 -0.158387D+02  0.168207D+02
      4   0.467822D+01  0.704609D+01 -0.625116D+01 -0.504635D+00 -0.234259D+01
      5  -0.483447D+01  0.974086D+01  0.145006D+01  0.375667D+00  0.104643D+02
      6  -0.518301D+01  0.372487D+01 -0.108989D+00  0.415880D+01  0.127138D+02
                26            27            28            29            30 
      1   0.385746D+01  0.571280D+01  0.106526D+02  0.206942D+01 -0.367620D+01
      2  -0.327616D+00  0.858413D+00 -0.478794D+00  0.485265D+00 -0.953493D+00
      3  -0.352984D+01 -0.657121D+01 -0.101738D+02 -0.255469D+01  0.462969D+01
      4  -0.191310D+00  0.709051D+01  0.650187D+01  0.389458D+01  0.890225D+00
      5   0.639192D+01  0.593071D+01 -0.178622D+01  0.933064D+00  0.740648D+01
      6   0.635166D+01 -0.772820D+01 -0.713974D+01  0.219664D+01  0.259197D+01
                31            32            33            34            35 
      1  -0.621366D+01 -0.215549D+01 -0.804088D+01  0.495882D+01 -0.531196D+01
      2   0.605931D+01  0.555523D+01  0.322117D+00 -0.646039D+01 -0.777556D+01
      3   0.154354D+00 -0.339975D+01  0.771876D+01  0.150157D+01  0.130875D+02
      4   0.174121D+02  0.224221D+00 -0.282576D+01 -0.118374D+02 -0.662392D+01
      5  -0.141038D+02 -0.255452D+01  0.258276D+01 -0.152605D+02 -0.235916D+00
      6  -0.217504D+01 -0.377054D+01  0.798367D+01 -0.671686D+01  0.208664D+00
                36            37            38            39            40 
      1  -0.213057D+02  0.931634D+01 -0.232727D+01 -0.265054D+02  0.549715D+01
      2   0.475144D+01 -0.873986D+01 -0.135983D+01  0.272372D+01  0.424594D+01
      3   0.165543D+02 -0.576481D+00  0.368711D+01  0.237817D+02 -0.974309D+01
      4   0.634019D+00 -0.880906D+01 -0.512577D+01 -0.912964D+01  0.934302D+01
      5   0.969844D+00 -0.769629D+01 -0.628389D+01 -0.438183D+01 -0.496592D+01
      6   0.709543D+01 -0.619757D+01  0.127423D+01 -0.481003D+01 -0.291903D+01
                41            42            43            44            45 
      1  -0.107598D+02 -0.246117D+00  0.197190D+02  0.851305D+01  0.864114D+01
      2   0.143435D+02  0.804082D+01 -0.894667D+00  0.331106D+01 -0.591821D+01
      3  -0.358374D+01 -0.779470D+01 -0.188243D+02 -0.118241D+02 -0.272293D+01
      4   0.364523D+00 -0.160181D+01  0.554399D+00  0.447532D+01 -0.466838D+01
      5  -0.855974D+00 -0.109467D+02  0.802104D+01 -0.521833D+01 -0.299521D+01
      6   0.430199D+01  0.617510D+01 -0.823686D+01 -0.242999D+01 -0.130228D+02
                46            47            48            49            50 
      1  -0.604656D+01  0.824929D+01  0.221089D+02 -0.244737D+02 -0.473710D+01
      2   0.890414D+01 -0.406666D+01 -0.812323D+01  0.796911D+01  0.404065D+01
      3  -0.285758D+01 -0.418263D+01 -0.139856D+02  0.165046D+02  0.696454D+00
      4  -0.783468D+00  0.786735D+01  0.442714D+01  0.105448D+02 -0.402320D+01
      5   0.109659D+02  0.978231D+00 -0.967538D+01  0.430722D+01 -0.286787D+01
      6   0.439422D+01 -0.496313D+01 -0.742888D+01  0.105440D+01 -0.114488D+01
                51            52            53            54            55 
      1   0.201865D+02 -0.314470D+02  0.357910D+01 -0.199700D+01 -0.494745D+02
      2   0.875988D+00  0.496758D+01  0.689622D+00  0.346047D+01  0.213157D+02
      3  -0.210625D+02  0.264794D+02 -0.426872D+01 -0.146347D+01  0.281588D+02
      4  -0.675129D+00 -0.481132D+01 -0.172973D+01  0.531337D+01  0.963219D+01
      5   0.133243D+01  0.111243D+01  0.499289D+01  0.768656D+01 -0.823750D+01
      6   0.984867D+01  0.100209D+02  0.788409D+01 -0.111183D+02 -0.247915D+01
                56            57            58            59            60 
      1   0.102854D+02 -0.633785D+01  0.445551D+02 -0.197176D+01  0.124612D+02
      2  -0.592474D+01  0.462813D+00 -0.317386D+02 -0.160167D+02 -0.108865D+02
      3  -0.436065D+01  0.587504D+01 -0.128165D+02  0.179884D+02 -0.157462D+01
      4  -0.101112D+02  0.475316D+01 -0.262185D+02 -0.369624D+02 -0.116850D+02
      5   0.440204D+01 -0.156521D+02  0.112573D+02 -0.118892D+02 -0.110288D+00
      6   0.105596D+01 -0.354605D+01 -0.829592D-01 -0.641641D+01 -0.725905D+00
                61            62            63            64            65 
      1  -0.344844D+02  0.100854D+02 -0.147293D+02 -0.175495D+02 -0.395032D+02
      2   0.828582D+01 -0.116174D+02  0.128372D+02  0.136008D+02  0.195541D+02
      3   0.261986D+02  0.153199D+01  0.189207D+01  0.394873D+01  0.199490D+02
      4   0.800987D+01 -0.176543D+02 -0.776662D+01 -0.436769D+02  0.513996D+01
      5  -0.321203D+02 -0.720349D+01  0.345435D+02 -0.570540D+01 -0.120131D+02
      6  -0.668147D+01 -0.345336D+01  0.894687D+01 -0.312930D+01 -0.269387D+01
                66            67            68            69            70 
      1  -0.935030D+01 -0.813344D+02  0.124096D+02 -0.142734D+02  0.113320D+02
      2   0.574189D+00  0.432856D+02 -0.856367D+01  0.600756D+01 -0.542341D+01
      3   0.877611D+01  0.380488D+02 -0.384593D+01  0.826586D+01 -0.590856D+01
      4  -0.107088D+02  0.129256D+02  0.380193D+02  0.167765D+02 -0.136763D+02
      5   0.234985D+02 -0.225638D+02  0.177179D+02 -0.152278D+01  0.440196D+02
      6  -0.159365D+01  0.234793D+01 -0.103032D+01 -0.276552D+00 -0.427418D-01
                71            72            73            74            75 
      1  -0.934714D+01  0.449883D+02  0.382885D+02  0.347654D+02 -0.264678D+01
      2   0.236815D+01 -0.131055D+02 -0.303279D+02 -0.152429D+02 -0.403361D+01
      3   0.697899D+01 -0.318827D+02 -0.796059D+01 -0.195225D+02  0.668039D+01
      4   0.197234D+02 -0.753485D+00  0.303097D+02 -0.190463D+02  0.125835D+02
      5  -0.314411D-01 -0.450551D+02 -0.475264D+01  0.127096D+02 -0.243478D+02
      6   0.495617D+01  0.172098D+00  0.726799D+01 -0.457687D+01  0.118664D+02
                76            77            78            79            80 
      1   0.414981D+02 -0.179357D+02  0.618444D+01 -0.612416D+01  0.826857D+01
      2  -0.184687D+02  0.135345D+02  0.397145D+01 -0.584614D+01  0.405097D+01
      3  -0.230294D+02  0.440114D+01 -0.101559D+02  0.119703D+02 -0.123195D+02
      4  -0.236849D+02 -0.145932D+02 -0.242852D+02  0.151576D+02 -0.321104D+02
      5   0.152554D+02 -0.230973D+02  0.812981D+01 -0.355177D+02  0.150745D+02
      6  -0.796942D+01  0.125210D+02 -0.352358D+01  0.137260D+02 -0.738328D+01
                81            82            83            84            85 
      1  -0.273014D+02  0.301245D+02  0.451279D+02  0.211023D+01  0.648273D+02
      2   0.165331D+02 -0.958341D+01 -0.257598D+02  0.236069D+01 -0.383470D+02
      3   0.107683D+02 -0.205411D+02 -0.193681D+02 -0.447091D+01 -0.264803D+02
      4   0.219241D+02  0.484282D+02 -0.484424D+01  0.196672D+02 -0.197851D+02
      5   0.380294D+02 -0.119601D+01  0.216630D+02 -0.397183D+02  0.284248D+02
      6  -0.119662D+02  0.623995D+01 -0.779748D+00 -0.936298D+00 -0.532856D+01
                86            87            88            89            90 
      1  -0.693891D+01  0.279925D+02 -0.435616D+01  0.239439D+02 -0.549525D+02
      2  -0.943301D+00 -0.194663D+02  0.493536D+01 -0.171277D+02  0.274481D+02
      3   0.788221D+01 -0.852620D+01 -0.579195D+00 -0.681618D+01  0.275044D+02
      4  -0.486026D+02 -0.358322D+02  0.216123D+02 -0.334324D+02 -0.337665D+01
      5  -0.384125D+02  0.350283D+01 -0.606436D+02 -0.179607D+01  0.344114D+02
      6  -0.121688D+02 -0.718965D+01 -0.222198D+01 -0.731010D+01  0.527407D+01
                91            92            93            94            95 
      1   0.744849D+01  0.170026D+02 -0.751800D+01  0.275682D+02 -0.135997D+02
      2  -0.243585D+01 -0.122416D+02  0.486193D+01 -0.175647D+02  0.413332D+01
      3  -0.501264D+01 -0.476097D+01  0.265608D+01 -0.100035D+02  0.946641D+01
      4   0.123830D+02 -0.108591D+02  0.102439D+01 -0.390069D+02 -0.313074D+01
      5  -0.569756D+01  0.103482D+01 -0.588456D+01  0.832638D+01  0.676602D+01
      6   0.240529D+00  0.136886D+01 -0.557263D+01  0.559760D+01  0.784634D+01
                96            97            98            99           100 
      1  -0.232781D+01 -0.699101D+00 -0.428607D+01  0.175195D+01 -0.470765D+01
      2   0.402330D+01  0.685328D+01  0.114366D+02 -0.270278D+01  0.546934D+01
      3  -0.169549D+01 -0.615418D+01 -0.715053D+01  0.950825D+00 -0.761687D+00
      4   0.685105D+01  0.945939D+01  0.165775D+02 -0.239734D+02  0.320093D+01
      5  -0.196006D+02 -0.132810D+02 -0.230273D+02 -0.213801D+02  0.152445D+02
      6  -0.100487D+02 -0.124972D+02 -0.123167D+02 -0.727863D+01 -0.108077D+01
               101           102           103           104           105 
      1  -0.512192D+01  0.974559D+01  0.760983D+01  0.167014D+02 -0.210064D+01
      2   0.381378D+01 -0.685391D+01 -0.893962D+01 -0.605057D+01  0.223980D+01
      3   0.130814D+01 -0.289168D+01  0.132979D+01 -0.106509D+02 -0.139161D+00
      4   0.883612D+01 -0.101141D+01  0.158708D+02 -0.828888D+01 -0.565917D+00
      5  -0.443192D+00 -0.151800D+02 -0.201641D+01 -0.339264D+00  0.295838D+02
      6   0.949929D-01  0.838240D+01 -0.207721D+01  0.203553D+01 -0.680930D+01
               106           107           108           109           110 
      1   0.281160D+02 -0.666996D+01 -0.166094D+02  0.443951D+02 -0.928040D+01
      2  -0.130021D+02 -0.878755D+00  0.146303D+02 -0.257770D+02  0.412932D+01
      3  -0.151139D+02  0.754872D+01  0.197909D+01 -0.186181D+02  0.515107D+01
      4  -0.144369D+02  0.116534D+02  0.213498D+02 -0.155125D+02  0.121180D+02
      5  -0.351165D+02  0.214207D+02  0.283503D+02 -0.375481D+02  0.328370D+01
      6   0.113965D+02 -0.129135D+02 -0.548765D+01  0.736555D+01 -0.318401D+01
               111           112           113           114           115 
      1  -0.271212D+02 -0.139973D+02  0.144824D+01 -0.170702D+00 -0.490212D+02
      2   0.180691D+02  0.454679D+01  0.360535D+01 -0.670321D+00  0.286828D+02
      3   0.905217D+01  0.945055D+01 -0.505359D+01  0.841023D+00  0.203384D+02
      4   0.575420D+01  0.191424D+02 -0.168668D+02 -0.177013D+02  0.196981D+02
      5   0.303902D+02  0.928756D+01 -0.183106D+02 -0.202138D+02  0.459804D+02
      6  -0.583607D+01 -0.392903D+01  0.884978D+01  0.143373D+02 -0.767398D+01
               116           117           118           119           120 
      1   0.499582D+01  0.132980D+02  0.275363D+01  0.844658D+01  0.145211D+02
      2  -0.143867D+01 -0.235432D+02 -0.103167D+02  0.335990D+01 -0.102691D+02
      3  -0.355715D+01  0.102453D+02  0.756304D+01 -0.118065D+02 -0.425197D+01
      4  -0.278401D+02 -0.141391D+02  0.162197D+02 -0.216650D+02 -0.847763D+00
      5  -0.138823D+02 -0.757606D+02  0.132184D+02  0.261796D+01  0.102172D+02
      6   0.145874D+02  0.197198D+02 -0.805755D+00 -0.159964D+01 -0.129977D+01
               121           122           123           124           125 
      1   0.167431D+02 -0.276218D+02  0.685181D+01  0.270170D+02  0.868307D-01
      2   0.145359D+01  0.759858D+01 -0.463785D+01 -0.155331D+02 -0.256026D+01
      3  -0.181967D+02  0.200233D+02 -0.221395D+01 -0.114838D+02  0.247343D+01
      4  -0.260461D+02  0.308965D+02  0.699345D+01 -0.159233D+02  0.197083D+02
      5   0.770111D+00  0.649474D+01 -0.569305D+01  0.289742D+02 -0.175367D+02
      6  -0.129052D+01 -0.475260D+01  0.860049D+01 -0.754295D+01  0.141358D+02
               126           127           128           129           130 
      1   0.435719D+01  0.490263D+00 -0.284436D+01 -0.203766D+01 -0.662327D+00
      2  -0.132642D+02 -0.100691D+01  0.255253D+01 -0.389112D-01 -0.412802D-01
      3   0.890703D+01  0.516650D+00  0.291839D+00  0.207657D+01  0.703607D+00
      4  -0.148471D+02  0.427852D+01  0.444341D+01  0.432850D+01  0.408005D+01
      5   0.422286D+02  0.748866D+01  0.467170D+01  0.831792D+01  0.603079D+01
      6  -0.145010D+02  0.520778D+01  0.448162D+01  0.602847D+01  0.486135D+01
               131           132           133           134           135 
      1  -0.717790D+01 -0.830263D+01 -0.323775D+01 -0.110464D+02 -0.187350D+02
      2   0.416150D+01  0.917469D+00 -0.130629D+01  0.476384D+01 -0.261498D+00
      3   0.301640D+01  0.738516D+01  0.454404D+01  0.628252D+01  0.189965D+02
      4   0.510147D+01  0.397587D+01  0.422793D+01  0.424075D+01  0.481038D+01
      5   0.555731D+01  0.813507D+01  0.950671D+01  0.641638D+01  0.139119D+02
      6   0.872667D+01  0.100426D+02  0.646260D+01  0.124994D+02  0.171781D+02
               136           137           138           139           140 
      1   0.282836D+01  0.290241D+00  0.230925D+01  0.124659D+01 -0.229727D+01
      2  -0.505911D+01  0.261144D+00  0.346734D+01  0.561256D+00  0.202391D+00
      3   0.223075D+01 -0.551385D+00 -0.577659D+01 -0.180784D+01  0.209488D+01
      4  -0.368473D+01  0.270456D+01  0.225606D+01  0.212327D+01 -0.171073D+01
      5  -0.881803D+01  0.124212D+01  0.889926D+01  0.238870D+01 -0.232485D+01
      6   0.880868D+00 -0.194197D+01 -0.123946D+01 -0.186505D+01  0.237017D+01
               141           142           143           144           145 
      1  -0.452881D+01  0.316723D+01 -0.355542D+01 -0.136008D+02 -0.271931D+01
      2  -0.927646D+00  0.417781D+01  0.535837D+00 -0.692366D+01 -0.234642D+01
      3   0.545646D+01 -0.734504D+01  0.301958D+01  0.205244D+02  0.506573D+01
      4  -0.235916D+01  0.465108D+01 -0.445042D+01 -0.604031D+01  0.439648D+01
      5  -0.232499D+01  0.113934D+02 -0.298070D+01 -0.150002D+02  0.981695D+01
      6   0.354447D+01 -0.348080D+01  0.553558D+01  0.685947D+01  0.593667D+01
               146           147           148           149           150 
      1  -0.355839D+01 -0.507107D+01 -0.374952D+01 -0.745898D+01 -0.120804D+02
      2   0.933529D+00 -0.202276D+01 -0.123268D+01  0.151095D+01 -0.185510D+01
      3   0.262486D+01  0.709383D+01  0.498220D+01  0.594803D+01  0.139355D+02
      4   0.434523D+01  0.399611D+01  0.303990D+01  0.359654D+01  0.321685D+01
      5   0.566358D+01  0.114265D+02  0.667725D+01  0.532803D+01  0.958999D+01
      6   0.523967D+01  0.679486D+01  0.454714D+01  0.817107D+01  0.103152D+02
               151           152           153           154           155 
      1  -0.717030D+01 -0.122113D+02 -0.255175D+02  0.361861D+00 -0.546840D+00
      2  -0.266401D+01  0.125180D+01 -0.694118D+01 -0.840295D+01  0.107731D+01
      3   0.983430D+01  0.109595D+02  0.324587D+02  0.804108D+01 -0.530466D+00
      4   0.388048D+01  0.377529D+01  0.391383D+01 -0.353645D+01  0.303847D+01
      5   0.109512D+02  0.696088D+01  0.171782D+02 -0.154169D+02  0.192235D+01
      6   0.693759D+01  0.129810D+02  0.188961D+02  0.729440D+00 -0.260232D+01
               156           157           158           159           160 
      1   0.450747D+01  0.346972D+01 -0.226260D+01 -0.617623D+01  0.363800D+01
      2   0.865612D+01 -0.668782D-01 -0.238751D+00 -0.249354D+01  0.933022D+01
      3  -0.131636D+02 -0.340284D+01  0.250135D+01  0.866977D+01 -0.129682D+02
      4   0.290966D+01  0.118789D+01 -0.116451D+01 -0.275235D+01  0.473878D+01
      5   0.164734D+02  0.202195D+01 -0.271674D+01 -0.363912D+01  0.169417D+02
      6  -0.224376D+00 -0.178716D+01  0.224266D+01  0.348703D+01 -0.306618D+01
               161           162           163           164           165 
      1  -0.333575D+01 -0.200598D+02  0.144157D+02 -0.636385D+00 -0.720028D+01
      2  -0.106214D+01 -0.153353D+02 -0.109329D+02  0.611968D+00  0.604599D+01
      3   0.439789D+01  0.353951D+02 -0.348281D+01  0.244162D-01  0.115429D+01
      4  -0.423052D+01 -0.599126D+01  0.314062D+01  0.710827D+01 -0.592937D+01
      5  -0.397303D+01 -0.246885D+02 -0.151306D+02 -0.527167D+01  0.178120D+02
      6   0.590945D+01  0.600582D+01 -0.352782D+01 -0.244993D+01  0.392155D+01
               166           167           168           169           170 
      1  -0.860491D+01 -0.112213D+01  0.880501D+00 -0.147384D+02  0.107965D+01
      2   0.483153D+01  0.181466D+01 -0.591759D+00  0.120582D+02  0.393104D+00
      3   0.377338D+01 -0.692531D+00 -0.288743D+00  0.268021D+01 -0.147275D+01
      4   0.542639D+01  0.556375D+01 -0.461996D+01 -0.837748D+01 -0.908485D+01
      5  -0.159309D+01 -0.502843D+01  0.281790D+00  0.214903D+02  0.106617D+02
      6  -0.200859D+01 -0.190718D+01  0.506979D+01  0.645108D+01  0.768286D+01
               171           172           173           174           175 
      1  -0.402918D+01  0.774072D+01  0.614174D+01  0.345268D+01  0.894057D+01
      2  -0.112229D+02  0.561697D+00 -0.104857D+01 -0.114310D+01  0.456183D+01
      3   0.152521D+02 -0.830242D+01 -0.509317D+01 -0.230959D+01 -0.135024D+02
      4   0.106091D+02  0.935982D+01  0.130625D+02  0.582630D+00  0.240394D+02
      5  -0.417229D+02  0.427407D+01 -0.201638D-01  0.399590D+01  0.154456D+01
      6  -0.140789D+02  0.154098D+01  0.308762D-02  0.676893D+00  0.123005D+01
               176           177           178           179           180 
      1  -0.162320D+02 -0.156521D+01  0.167611D+02 -0.361107D+01 -0.315160D-01
      2   0.369606D+02  0.411909D+01 -0.425960D+01  0.817730D+01  0.155949D+01
      3  -0.207286D+02 -0.255388D+01 -0.125015D+02 -0.456623D+01 -0.152798D+01
      4   0.518044D+02  0.610247D+01  0.698490D+01  0.158264D+02  0.782991D+01
      5   0.553216D+01  0.566577D+01  0.871972D+01  0.758392D+01  0.236080D+01
      6   0.290577D+01  0.556137D+01  0.312919D+01  0.699906D+01  0.269266D+01
               181           182           183           184           185 
      1  -0.117878D+02  0.487785D+01  0.133052D+02  0.101649D+02 -0.735249D+01
      2   0.164911D+01 -0.217522D+01 -0.229489D+01 -0.498097D+01  0.330339D+01
      3   0.101387D+02 -0.270263D+01 -0.110103D+02 -0.518391D+01  0.404910D+01
      4   0.571762D+01 -0.202091D+01  0.162447D+01  0.829938D+00 -0.487975D+01
      5   0.664787D+01  0.151033D+01 -0.553798D+01  0.137551D+01  0.313311D+01
      6  -0.421675D+00 -0.488213D+00  0.324379D+00 -0.132408D+01 -0.279699D-01
               186           187           188           189           190 
      1   0.226430D+01  0.220548D+02  0.336282D+01 -0.280443D+02  0.118300D+02
      2  -0.101192D+01 -0.804635D+01 -0.191927D+01 -0.700365D+01 -0.631571D+01
      3  -0.125238D+01 -0.140085D+02 -0.144354D+01  0.350479D+02 -0.551427D+01
      4   0.346215D+01  0.258018D+01  0.673411D+01 -0.737852D-02 -0.107212D+02
      5  -0.734965D+00 -0.217553D+01  0.347517D+00  0.450250D+02 -0.149424D+02
      6   0.679512D+01  0.221385D+00  0.382190D+01 -0.121509D+01  0.373890D+01
               191           192           193           194           195 
      1  -0.547029D+01 -0.112026D+02 -0.108157D+01  0.150247D+01 -0.228998D+01
      2   0.100480D+01  0.817280D+01 -0.887245D+00 -0.191305D+00  0.238331D+01
      3   0.446549D+01  0.302984D+01  0.196881D+01 -0.131117D+01 -0.933258D-01
      4   0.108377D+02  0.585087D+01  0.696473D+01 -0.354833D+01 -0.500997D+01
      5   0.342970D+01  0.197986D+02 -0.528071D+00 -0.499882D+01 -0.193337D+01
      6  -0.165363D+01 -0.660788D+01 -0.150745D+01  0.158319D+01  0.600567D+01
               196           197           198           199           200 
      1  -0.187766D+02 -0.113372D+01  0.803140D+01  0.304770D+02 -0.188637D+02
      2   0.123253D+02  0.311976D+01 -0.141148D+02 -0.730408D+01 -0.350479D-01
      3   0.645137D+01 -0.198605D+01  0.608339D+01 -0.231729D+02  0.188988D+02
      4   0.112417D+02 -0.152973D+02 -0.176584D+02 -0.373445D+02  0.353443D+02
      5   0.245299D+02 -0.135627D+02 -0.534651D+02  0.151315D+02 -0.103599D+02
      6  -0.863797D+01  0.880057D+01  0.202660D+02 -0.750187D+01  0.666557D+01
               201           202           203           204           205 
      1   0.102624D+02 -0.187120D+02  0.950402D+01 -0.366286D+01  0.187015D+02
      2  -0.258431D+01 -0.171806D+00  0.114680D+02 -0.331522D+01 -0.563989D+01
      3  -0.767808D+01  0.188838D+02 -0.209720D+02  0.697808D+01 -0.130616D+02
      4  -0.130359D+02  0.354636D+02 -0.435105D+02  0.177369D+02 -0.232220D+02
      5   0.154377D+02 -0.111519D+02  0.157530D+02 -0.121781D+02  0.198673D+02
      6  -0.770337D+01  0.747514D+01 -0.109988D+02  0.895246D+01 -0.968938D+01
               206           207           208           209           210 
      1  -0.602056D+01  0.899216D+01 -0.545136D+02 -0.234665D+02 -0.124140D+01
      2  -0.457426D+01 -0.385340D+01  0.319679D+02  0.206556D+02  0.104533D+01
      3   0.105948D+02 -0.513876D+01  0.225457D+02  0.281085D+01  0.196070D+00
      4   0.298091D+02 -0.190827D+02  0.529726D+01 -0.100114D+02 -0.168807D+01
      5  -0.160949D+02  0.156636D+02 -0.163215D+01 -0.240950D+01 -0.154236D+01
      6   0.112427D+02 -0.963297D+01 -0.146193D+01 -0.448816D+00  0.264293D+01
               211           212           213           214           215 
      1  -0.195686D+02 -0.182390D+02 -0.968008D+00 -0.196407D+01  0.888922D-01
      2   0.156768D+02  0.173558D+02 -0.593369D-01  0.178666D+01 -0.489307D+00
      3   0.389176D+01  0.883274D+00  0.102734D+01  0.177411D+00  0.400415D+00
      4   0.755170D-01 -0.597081D+01  0.168195D+01 -0.413679D+00  0.315610D+01
      5  -0.120437D+01  0.109712D+01 -0.233984D+01  0.259826D+01 -0.390048D+01
      6   0.755470D+00 -0.617236D+00  0.335103D+01  0.121252D+01  0.406561D+01
               216           217           218           219           220 
      1  -0.327690D+01  0.382314D+02  0.112206D+01 -0.221343D+02 -0.433927D+01
      2   0.141653D+01 -0.205518D+02  0.287659D+00  0.105962D+02  0.357927D+01
      3   0.186037D+01 -0.176795D+02 -0.140972D+01  0.115380D+02  0.759999D+00
      4  -0.393364D+01  0.301427D+01  0.821395D+01 -0.547772D+01  0.118610D+02
      5  -0.396653D+01 -0.215467D+02 -0.477227D+01  0.261410D+02 -0.383542D+01
      6   0.113055D+01 -0.293486D+01 -0.392558D+00  0.279758D+01 -0.112717D+01
               221           222           223           224           225 
      1   0.696832D+01 -0.381578D+01 -0.539883D+02 -0.918255D+01  0.332530D+02
      2  -0.224342D+01  0.168275D+01  0.279991D+02  0.383825D+01 -0.206851D+02
      3  -0.472490D+01  0.213303D+01  0.259893D+02  0.534430D+01 -0.125679D+02
      4   0.832984D+01 -0.491076D+01 -0.122935D+02 -0.140241D+02  0.744518D+01
      5  -0.434327D+01  0.220461D+01  0.409712D+02  0.706006D+01 -0.601461D+02
      6   0.302187D+00  0.400927D+01  0.385090D+01  0.414838D+01 -0.728084D+01
               226           227           228           229           230 
      1   0.311799D+01  0.853599D+01  0.461737D+01  0.236056D+02  0.500444D+01
      2  -0.672473D-01 -0.330266D+01 -0.220358D+01 -0.817559D+01  0.132353D+02
      3  -0.305074D+01 -0.523333D+01 -0.241380D+01 -0.154300D+02 -0.182397D+02
      4   0.774391D+01  0.954572D+01  0.197670D+01  0.319927D+02  0.795049D+02
      5   0.456305D+01  0.223756D+01  0.629746D+01  0.102067D+02  0.270768D+02
      6   0.232723D+01  0.897440D+00  0.343118D+00  0.573518D+01  0.169066D+02
               231           232           233           234           235 
      1  -0.783907D+00  0.114650D+02 -0.162284D+01  0.632620D+01  0.781314D+02
      2   0.193568D+01 -0.614124D+01  0.286963D+01 -0.442757D+01 -0.446216D+02
      3  -0.115178D+01 -0.532374D+01 -0.124679D+01 -0.189864D+01 -0.335098D+02
      4   0.258244D+02  0.844031D+01  0.273912D+02  0.165760D+02 -0.221288D+02
      5   0.204665D+02  0.164277D+02  0.172646D+02  0.138173D+02  0.368486D+02
      6   0.109521D+02  0.342379D+01  0.107747D+02  0.703080D+01 -0.318677D+01
               236           237           238           239           240 
      1  -0.223965D+02  0.282077D+02 -0.550692D+02  0.180758D+02 -0.179747D+02
      2   0.131840D+02 -0.187765D+02  0.309160D+02 -0.888829D+01  0.130035D+02
      3   0.921250D+01 -0.943126D+01  0.241532D+02 -0.918751D+01  0.497117D+01
      4   0.178544D+02 -0.106975D+02  0.257504D+02 -0.197395D+02  0.164501D+02
      5  -0.125446D+02  0.297346D+02 -0.259303D+02  0.173351D+02 -0.208437D+02
      6   0.210279D+01 -0.505511D+00  0.452798D+01 -0.360722D+01  0.421093D+01
               241           242           243           244           245 
      1   0.466571D+02 -0.112593D+02  0.291999D+02  0.273233D+01  0.531832D+00
      2  -0.301291D+02  0.877596D+01 -0.226076D+02 -0.345908D+01  0.122856D+00
      3  -0.165280D+02  0.248331D+01 -0.659231D+01  0.726747D+00 -0.654688D+00
      4  -0.130013D+02  0.183118D+02 -0.106056D+02  0.474433D+01  0.706243D+01
      5   0.430465D+02 -0.117739D+02  0.313374D+02  0.127832D+02  0.385205D+01
      6  -0.185530D+01  0.484161D+01 -0.300696D+01  0.562121D+01  0.139753D+01
               246           247           248           249           250 
      1   0.779866D+01 -0.363369D+00 -0.915378D+00 -0.110899D+01  0.106743D+02
      2  -0.477683D+01  0.132570D+01  0.301034D+01  0.134486D+01 -0.757721D+01
      3  -0.302184D+01 -0.962332D+00 -0.209496D+01 -0.235864D+00 -0.309709D+01
      4   0.431854D+01  0.106985D+02  0.111241D+02  0.784553D+01  0.630381D+01
      5   0.107256D+02  0.493304D+01  0.821236D+01  0.118065D+02  0.157291D+02
      6   0.304960D+01  0.283330D+01  0.578663D+01  0.903253D+01  0.510519D+01
               251           252           253           254           255 
      1  -0.316175D+01 -0.381523D+01 -0.416065D+02 -0.456600D+02  0.753799D+01
      2   0.147074D+01 -0.675561D+01  0.270909D+01  0.323884D+02  0.169102D+01
      3   0.169100D+01  0.105708D+02  0.388974D+02  0.132715D+02 -0.922900D+01
      4   0.117258D+02  0.123927D+02 -0.564600D+02 -0.874754D+01  0.529043D+01
      5   0.119604D+02  0.345807D+02  0.121633D+02  0.900055D+01  0.637663D+01
      6   0.848055D+01  0.153008D+02  0.563709D+01 -0.293296D-01  0.356178D+01
               256           257           258           259           260 
      1  -0.357505D+02  0.131058D+02  0.126978D+02 -0.260775D+01  0.141183D+02
      2   0.287813D+02 -0.165145D+02 -0.542623D+01  0.254882D+01 -0.124532D+02
      3   0.696926D+01  0.340869D+01 -0.727161D+01  0.589324D-01 -0.166502D+01
      4   0.505816D+01  0.719126D+01 -0.986642D+01 -0.507768D+01 -0.168244D+02
      5   0.208401D+01 -0.148977D+02  0.155777D+02  0.143272D+02  0.159355D+02
      6  -0.618658D+01 -0.969671D+01  0.134648D+02  0.104806D+02  0.160446D+02
               261           262           263           264           265 
      1   0.879478D+01  0.315856D+02 -0.226048D+02  0.528300D+01 -0.258204D+02
      2   0.139948D+02 -0.831874D+01  0.404967D+01 -0.193523D+01  0.165598D+01
      3  -0.227895D+02 -0.232669D+02  0.185551D+02 -0.334777D+01  0.241644D+02
      4   0.211180D+02 -0.340762D+02  0.322437D+02 -0.660183D+01  0.439112D+02
      5   0.135008D+02  0.111844D+02 -0.796176D+01  0.822915D+01 -0.109018D+02
      6   0.355347D+01 -0.429414D+01  0.411398D+01 -0.227251D+01  0.535299D+01
               266           267           268           269           270 
      1   0.199684D+02 -0.399624D+01 -0.694296D+01  0.638362D+01  0.147419D+01
      2   0.785675D+01  0.699852D+00 -0.471410D+00  0.135686D+01 -0.195086D+00
      3  -0.278251D+02  0.329639D+01  0.741437D+01 -0.774048D+01 -0.127911D+01
      4  -0.567599D+02  0.104233D+02  0.962226D+01 -0.107549D+02 -0.443334D+01
      5   0.124526D+02 -0.113822D+02  0.435946D+01 -0.402123D+01  0.292311D+01
      6  -0.813376D+01  0.499297D+01 -0.200297D+01  0.305197D+01 -0.115919D+01
               271           272           273           274           275 
      1  -0.119503D+02  0.260059D+02 -0.168196D+01  0.178976D+02 -0.361104D+02
      2   0.142856D+02 -0.289753D+02 -0.214756D+00 -0.162617D+02  0.504371D+02
      3  -0.233529D+01  0.296936D+01  0.189672D+01 -0.163592D+01 -0.143267D+02
      4   0.191738D+01 -0.555111D+01  0.118591D+01  0.425960D+01  0.214349D+02
      5   0.275624D+01 -0.260147D+01 -0.324969D+01 -0.396510D+01  0.411607D+01
      6  -0.106725D+01  0.405859D+01 -0.488004D+01  0.125440D+01 -0.608774D+01
               276           277           278           279           280 
      1   0.126345D+00  0.363596D+01 -0.571365D+01 -0.620524D+01  0.109479D+01
      2   0.685776D+00 -0.262488D+01  0.889339D+01  0.400002D+01 -0.208789D+01
      3  -0.812121D+00 -0.101108D+01 -0.317974D+01  0.220522D+01  0.993095D+00
      4  -0.247902D+00  0.177579D+01  0.677340D+01 -0.658279D+00  0.262722D+01
      5   0.286600D+01 -0.146136D+01  0.184205D+01  0.534750D+00 -0.355422D+01
      6   0.582201D+01 -0.281044D+01  0.458890D+01  0.887612D+00 -0.175089D+01
               281           282           283           284           285 
      1   0.472093D+01 -0.750399D+01 -0.629396D+00 -0.335884D+01 -0.280451D+01
      2  -0.432761D+01  0.847803D+00 -0.125822D+01 -0.354818D-01 -0.337166D+01
      3  -0.393322D+00  0.665618D+01  0.188762D+01  0.339432D+01  0.617617D+01
      4  -0.114209D+00 -0.205066D+01 -0.198069D+01 -0.522686D+01 -0.160141D+01
      5  -0.196484D+00 -0.875963D+00  0.136281D+01 -0.591464D+00 -0.734525D+01
      6   0.155751D+01 -0.292262D+01  0.120404D+01  0.153233D+01 -0.989084D+00
               286           287           288           289           290 
      1  -0.887661D+01  0.176741D+01 -0.179991D+02  0.768776D+02  0.246769D+02
      2   0.333912D+01 -0.557314D+01 -0.145294D+02 -0.240123D+02 -0.450913D+00
      3   0.553749D+01  0.380573D+01  0.325285D+02 -0.528652D+02 -0.242260D+02
      4  -0.620565D+01 -0.856212D+01 -0.303869D+01  0.673326D+02  0.399636D+02
      5   0.562630D+01  0.332383D+00 -0.324036D+02 -0.212700D+02 -0.101554D+02
      6   0.454827D+00  0.467402D+01 -0.193720D+02 -0.849046D+01 -0.692332D+01
               291           292           293           294           295 
      1  -0.536378D+01  0.174384D+02  0.899675D+01 -0.186489D+01  0.908400D+00
      2   0.233131D+01  0.273049D+00  0.629271D+01  0.272431D+00  0.105034D+01
      3   0.303246D+01 -0.177115D+02 -0.152895D+02  0.159245D+01 -0.195874D+01
      4  -0.910453D+01  0.307986D+02  0.244151D+02 -0.340295D+01 -0.211124D+00
      5   0.135309D+02 -0.656121D+01 -0.344718D+01  0.345293D+01  0.110994D+02
      6   0.755568D+01 -0.431010D+01 -0.394688D+01  0.292097D+01  0.554098D+01
               296           297 
      1  -0.106939D+01  0.520742D+01
      2   0.186687D+01 -0.413262D+01
      3  -0.797481D+00 -0.107480D+01
      4   0.140773D+01  0.529509D+01
      5   0.403234D+01 -0.459680D+01
      6   0.289913D+01 -0.230251D+01
 Leave Link  716 at Wed Sep  8 16:54:57 2021, MaxMem=  6442450944 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.220394D+03  0.914028D+01 -0.432178D+01
      2   0.914028D+01  0.138644D+03  0.699841D+01
      3  -0.432178D+01  0.699841D+01  0.151470D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.626647D+01 -0.118386D+01 -0.652587D+01
      2  -0.412048D+02 -0.150279D+02 -0.381881D+02
      3   0.269219D+02  0.569930D+02  0.819471D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.267124D+03 -0.722746D+02 -0.498738D+02
      2   0.143613D+03  0.675882D+02  0.208275D+01
      3   0.123511D+03  0.468636D+01  0.477910D+02
      4  -0.562582D+01 -0.104675D+03 -0.266368D+02
      5  -0.450442D+02 -0.246240D+02 -0.799840D+02
      6  -0.573129D+01 -0.218475D+02  0.196505D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.937886D+01  0.220318D+01 -0.695687D+00 -0.323843D+00 -0.658933D-01
      2   0.220318D+01 -0.218585D+00  0.320731D+00 -0.658933D-01 -0.383850D+01
      3  -0.695687D+00  0.320731D+00 -0.208458D+01  0.151986D+01 -0.164334D+01
                 6             7             8             9            10 
      1   0.151986D+01 -0.118609D+02 -0.108917D+01  0.126074D+00 -0.292272D+02
      2  -0.164334D+01 -0.108917D+01 -0.206961D+00  0.112503D+01 -0.305349D+01
      3   0.890172D+00  0.126074D+00  0.112503D+01 -0.193421D+01 -0.382386D+00
                11            12            13            14            15 
      1  -0.305349D+01 -0.382386D+00 -0.669530D+01 -0.500183D+01  0.136556D+01
      2  -0.183390D+01 -0.713479D+00 -0.500183D+01 -0.294524D+01  0.412342D+00
      3  -0.713479D+00 -0.284763D+01  0.136556D+01  0.412342D+00 -0.810153D+00
                16            17            18            19            20 
      1  -0.107540D+01  0.157947D+01 -0.104600D+01 -0.757889D+01 -0.249717D+01
      2   0.157947D+01  0.744464D+00 -0.199278D-02 -0.249717D+01  0.220106D+01
      3  -0.104600D+01 -0.199278D-02  0.161148D+01  0.172353D+00  0.149492D+01
                21            22            23            24            25 
      1   0.172353D+00 -0.798569D+01  0.234188D-01  0.709044D+00 -0.109981D+02
      2   0.149492D+01  0.234188D-01 -0.141416D+01 -0.166515D+01 -0.257678D+01
      3   0.162471D+01  0.709044D+00 -0.166515D+01  0.196039D+01  0.415733D+00
                26            27            28            29            30 
      1  -0.257678D+01  0.415733D+00  0.262212D+02  0.415718D+01 -0.134033D+01
      2  -0.122917D+01  0.124017D+01  0.415718D+01  0.241209D+01  0.147072D+00
      3   0.124017D+01 -0.252262D+01 -0.134033D+01  0.147072D+00  0.255539D+01
                31            32            33            34            35 
      1   0.389465D+01  0.545864D+01 -0.153986D+01 -0.659083D+00 -0.111999D+01
      2   0.545864D+01  0.220099D+01 -0.725522D+00 -0.111999D+01 -0.172229D+01
      3  -0.153986D+01 -0.725522D+00  0.165400D+01  0.922874D+00  0.209727D+00
                36            37            38            39            40 
      1   0.922874D+00 -0.116102D+02 -0.271325D+01  0.117136D+01 -0.495817D+00
      2   0.209727D+00 -0.271325D+01  0.240414D-01 -0.400249D+00  0.688779D+00
      3   0.803718D+00  0.117136D+01 -0.400249D+00  0.385582D+01 -0.165514D+01
                41            42            43            44            45 
      1   0.688779D+00 -0.165514D+01  0.132166D+02  0.922912D+00 -0.130532D+01
      2   0.398103D+01  0.203114D+01  0.922912D+00  0.848583D+00 -0.127538D+01
      3   0.203114D+01 -0.847076D+00 -0.130532D+01 -0.127538D+01  0.155325D+01
                46            47            48            49            50 
      1   0.978834D+01  0.248793D+01 -0.507839D+00  0.102438D+02 -0.540946D+00
      2   0.248793D+01 -0.194669D+01 -0.146963D+01 -0.540946D+00  0.114090D+01
      3  -0.507839D+00 -0.146963D+01 -0.270624D+01 -0.399660D+00  0.211061D+01
                51            52            53            54            55 
      1  -0.399660D+00  0.107320D+02  0.230273D+01  0.905466D+00  0.160319D+02
      2   0.211061D+01  0.230273D+01  0.137648D+01 -0.130216D+01 -0.733112D+00
      3  -0.325680D+01  0.905466D+00 -0.130216D+01  0.176803D+01  0.122494D+01
                56            57            58            59            60 
      1  -0.733112D+00  0.122494D+01 -0.428910D+01  0.434255D+01 -0.127771D+01
      2   0.143825D+01 -0.621147D+00  0.434255D+01  0.555380D+01  0.176551D+01
      3  -0.621147D+00  0.208825D+01 -0.127771D+01  0.176551D+01  0.187438D-01
                61            62            63            64            65 
      1   0.733349D+01 -0.880443D+00  0.395703D+01 -0.304444D+01  0.443359D+01
      2  -0.880443D+00  0.275873D+01  0.101614D+01  0.443359D+01 -0.786849D+00
      3   0.395703D+01  0.101614D+01 -0.450210D+01  0.166586D+00  0.131220D+01
                66            67            68            69            70 
      1   0.166586D+00  0.123697D+02 -0.167193D+01  0.230606D+01 -0.568186D+01
      2   0.131220D+01 -0.167193D+01 -0.456800D+01 -0.195524D+01  0.126105D+01
      3  -0.326624D+01  0.230606D+01 -0.195524D+01  0.362894D+00 -0.494295D+01
                71            72            73            74            75 
      1   0.126105D+01 -0.494295D+01 -0.342201D+01 -0.464278D+01  0.682609D+00
      2  -0.271940D+01  0.653978D-01 -0.464278D+01  0.977717D+00 -0.133782D+01
      3   0.653978D-01  0.589488D+01  0.682609D+00 -0.133782D+01  0.293314D+01
                76            77            78            79            80 
      1  -0.585585D+01  0.115390D+01 -0.171726D+01  0.160586D+01 -0.162764D+01
      2   0.115390D+01  0.227897D+01  0.258476D+01 -0.162764D+01  0.354179D+01
      3  -0.171726D+01  0.258476D+01 -0.949325D+00  0.399133D+01 -0.166343D+01
                81            82            83            84            85 
      1   0.399133D+01 -0.315057D+01 -0.416664D+01 -0.965943D-01 -0.655834D+01
      2  -0.166343D+01 -0.416664D+01  0.547769D+00 -0.173949D+01  0.204100D+01
      3  -0.435730D+01 -0.965943D-01 -0.173949D+01  0.346412D+01 -0.218744D+01
                86            87            88            89            90 
      1   0.204100D+01 -0.218744D+01  0.109138D+01 -0.183724D+01  0.512360D+01
      2   0.484778D+01  0.341281D+01 -0.183724D+01  0.338397D+01  0.299173D+00
      3   0.341281D+01 -0.251479D+00  0.512360D+01  0.299173D+00 -0.324291D+01
                91            92            93            94            95 
      1  -0.363466D+01  0.431845D+00 -0.655713D+00  0.359297D+01 -0.576005D+01
      2   0.431845D+00 -0.249863D+01  0.510803D+00 -0.576005D+01 -0.704660D+00
      3  -0.655713D+00  0.510803D+00 -0.124074D+01  0.115635D+01  0.131611D+01
                96            97            98            99           100 
      1   0.115635D+01  0.219232D+01  0.169241D+01 -0.219413D+01 -0.185358D+01
      2   0.131611D+01  0.169241D+01  0.311342D+01 -0.338277D+01 -0.293682D+00
      3  -0.278076D+01 -0.219413D+01 -0.338277D+01 -0.283313D+01  0.197276D+01
               101           102           103           104           105 
      1  -0.293682D+00  0.197276D+01 -0.471037D+00  0.206941D+01 -0.513202D+00
      2   0.162622D+01 -0.222798D-01  0.206941D+01 -0.237077D+01 -0.205454D+00
      3  -0.222798D-01 -0.100703D+01 -0.513202D+00 -0.205454D+00  0.190398D+01
               106           107           108           109           110 
      1   0.407579D+01 -0.174265D+01 -0.244536D+01  0.493405D+01 -0.124147D+01
      2  -0.174265D+01  0.698927D+00  0.252522D+01 -0.124147D+01  0.517052D+00
      3  -0.244536D+01  0.252522D+01  0.324397D+01 -0.381694D+01  0.292691D+00
               111           112           113           114           115 
      1  -0.381694D+01 -0.279224D+01  0.152630D+01  0.875388D+00 -0.902883D+01
      2   0.292691D+00  0.152630D+01 -0.155851D+01 -0.210857D+01  0.177872D+01
      3   0.227628D+01  0.875388D+00 -0.210857D+01 -0.186698D+01  0.414600D+01
               116           117           118           119           120 
      1   0.177872D+01  0.414600D+01 -0.670424D+00  0.169689D+01  0.137066D+01
      2  -0.310533D+01 -0.157022D+01  0.169689D+01 -0.301571D+01  0.220324D+00
      3  -0.157022D+01 -0.859845D+01  0.137066D+01  0.220324D+00  0.124108D+00
               121           122           123           124           125 
      1   0.205400D+01 -0.312266D+01  0.270224D+00  0.489202D+01 -0.124761D+01
      2  -0.312266D+01  0.345878D+01  0.104250D+01 -0.124761D+01  0.220088D+01
      3   0.270224D+00  0.104250D+01 -0.187212D+00  0.192113D+01 -0.203123D+01
               126           127           128           129           130 
      1   0.192113D+01 -0.201171D+01 -0.115550D+01 -0.160157D+01 -0.164499D+01
      2  -0.203123D+01 -0.115550D+01 -0.100881D+01 -0.108320D+01 -0.910815D+00
      3   0.451910D+01 -0.160157D+01 -0.108320D+01 -0.140878D+01 -0.156554D+01
               131           132           133           134           135 
      1  -0.910815D+00 -0.156554D+01 -0.183775D+01 -0.117278D+01 -0.203635D+01
      2  -0.142632D+01 -0.161732D+01 -0.117278D+01 -0.224165D+01 -0.275403D+01
      3  -0.161732D+01 -0.275174D+01 -0.203635D+01 -0.275403D+01 -0.523751D+01
               136           137           138           139           140 
      1   0.309510D+01 -0.185445D+00 -0.197992D+01 -0.487356D+00  0.177512D+00
      2  -0.185445D+00  0.399261D+00  0.210081D+00  0.177512D+00 -0.468890D+00
      3  -0.197992D+01  0.210081D+00  0.201642D+01  0.553389D+00 -0.496192D+00
               141           142           143           144           145 
      1   0.553389D+00 -0.276917D+01  0.734681D+00  0.279110D+01  0.202934D+01
      2  -0.496192D+00  0.734681D+00 -0.977550D+00 -0.116468D+01  0.126660D+01
      3  -0.153400D+01  0.279110D+01 -0.116468D+01 -0.500402D+01  0.179222D+01
               146           147           148           149           150 
      1   0.126660D+01  0.179222D+01  0.125824D+01  0.791295D+00  0.152597D+01
      2   0.994981D+00  0.113705D+01  0.791295D+00  0.102735D+01  0.147605D+01
      3   0.113705D+01  0.181746D+01  0.152597D+01  0.147605D+01  0.298607D+01
               151           152           153           154           155 
      1   0.177079D+01  0.116648D+01  0.224143D+01 -0.305663D+01  0.302304D+00
      2   0.116648D+01  0.207408D+01  0.272119D+01  0.302304D+00 -0.274520D+00
      3   0.224143D+01  0.272119D+01  0.618766D+01  0.256179D+01 -0.213790D+00
               156           157           158           159           160 
      1   0.256179D+01  0.229613D+00 -0.194670D+00 -0.445244D+00  0.293936D+01
      2  -0.213790D+00 -0.194670D+00  0.272328D+00  0.439375D+00 -0.696445D+00
      3  -0.296389D+01 -0.445244D+00  0.439375D+00  0.162457D+01 -0.327941D+01
               161           162           163           164           165 
      1  -0.696445D+00 -0.327941D+01 -0.227822D+01 -0.786670D-01  0.158974D+01
      2   0.888524D+00  0.113453D+01 -0.786670D-01 -0.698917D+00  0.604077D+00
      3   0.113453D+01  0.647224D+01  0.158974D+01  0.604077D+00 -0.174357D+01
               166           167           168           169           170 
      1   0.175071D+01 -0.675143D+00  0.224440D+00  0.373259D+01  0.796162D+00
      2  -0.675143D+00 -0.860942D+00  0.665770D+00  0.796162D+00  0.121761D+01
      3   0.224440D+00  0.665770D+00 -0.923071D-01 -0.222927D+01 -0.147600D+01
               171           172           173           174           175 
      1  -0.222927D+01 -0.182206D+01 -0.125816D+01 -0.602049D+00 -0.344893D+01
      2  -0.147600D+01 -0.125816D+01 -0.975324D+00  0.264090D-01 -0.273169D+01
      3   0.568505D+01 -0.602049D+00  0.264090D-01 -0.245829D+00 -0.316546D+00
               176           177           178           179           180 
      1  -0.273169D+01 -0.316546D+00 -0.446079D+01 -0.878997D+00 -0.112621D+01
      2  -0.831828D+01 -0.985257D+00 -0.878997D+00 -0.238226D+01 -0.124402D+01
      3  -0.985257D+00 -0.856813D+00 -0.112621D+01 -0.124402D+01 -0.419298D+00
               181           182           183           184           185 
      1   0.196293D+01 -0.743406D+00 -0.124774D+01 -0.152946D+01  0.228151D+00
      2  -0.743406D+00  0.464256D+00 -0.257914D+00  0.228151D+00  0.577699D+00
      3  -0.124774D+01 -0.257914D+00  0.147651D+01 -0.200271D+00 -0.629813D+00
               186           187           188           189           190 
      1  -0.200271D+00 -0.219086D+01 -0.227107D+00  0.101125D+01 -0.134922D+01
      2  -0.629813D+00 -0.227107D+00 -0.101160D+01  0.212287D-01  0.920997D+00
      3   0.127393D+00  0.101125D+01  0.212287D-01 -0.668087D+01  0.134418D+01
               191           192           193           194           195 
      1   0.920997D+00  0.134418D+01  0.414655D+00 -0.490352D+00  0.325278D-01
      2  -0.905713D+00 -0.300554D+00 -0.490352D+00  0.350025D+00  0.552786D+00
      3  -0.300554D+00 -0.190824D+01  0.325278D-01  0.552786D+00  0.254524D+00
               196           197           198           199           200 
      1   0.244536D+01 -0.647800D+00 -0.226779D+01 -0.392045D+01  0.315183D+01
      2  -0.647800D+00  0.171360D+01  0.150338D+01  0.315183D+01 -0.300458D+01
      3  -0.226779D+01  0.150338D+01  0.604109D+01 -0.146329D+01  0.106694D+01
               201           202           203           204           205 
      1  -0.146329D+01  0.289123D+01 -0.298409D+01  0.120281D+01 -0.280511D+01
      2   0.106694D+01 -0.298409D+01  0.428102D+01 -0.180748D+01  0.195617D+01
      3  -0.145612D+01  0.120281D+01 -0.180748D+01  0.132281D+01 -0.196500D+01
               206           207           208           209           210 
      1   0.195617D+01 -0.196500D+01  0.787969D+01  0.161536D+01  0.225393D+00
      2  -0.306941D+01  0.181659D+01  0.161536D+01  0.272712D+01  0.140662D+00
      3   0.181659D+01 -0.163990D+01  0.225393D+00  0.140662D+00  0.481165D+00
               211           212           213           214           215 
      1   0.159241D+01  0.158509D+01  0.115474D+00  0.402151D+00  0.100174D-01
      2   0.158509D+01  0.194708D+01 -0.147587D+00  0.100174D-01 -0.359368D+00
      3   0.115474D+00 -0.147587D+00  0.570920D+00  0.894133D-01  0.650328D+00
               216           217           218           219           220 
      1   0.894133D-01 -0.289659D+01 -0.894309D-01  0.171460D+01  0.393851D+00
      2   0.650328D+00 -0.894309D-01 -0.584849D+00  0.371337D+00 -0.919278D+00
      3   0.374228D+00  0.171460D+01  0.371337D+00 -0.196733D+01  0.291146D+00
               221           222           223           224           225 
      1  -0.919278D+00  0.291146D+00  0.467521D+01  0.945579D+00 -0.325783D+01
      2  -0.752369D+00  0.389402D+00  0.945579D+00  0.115830D+01 -0.641806D+00
      3   0.389402D+00 -0.189047D+00 -0.325783D+01 -0.641806D+00  0.520006D+01
               226           227           228           229           230 
      1  -0.159512D+00 -0.701569D+00 -0.357926D+00 -0.251301D+01 -0.251466D+01
      2  -0.701569D+00 -0.392365D+00 -0.472305D-01 -0.251466D+01 -0.762579D+01
      3  -0.357926D+00 -0.472305D-01 -0.393426D+00 -0.736250D+00 -0.245624D+01
               231           232           233           234           235 
      1  -0.736250D+00 -0.124737D+01 -0.647505D+00 -0.128154D+01 -0.628915D+01
      2  -0.245624D+01 -0.647505D+00 -0.263129D+01 -0.164549D+01  0.187479D+01
      3  -0.182848D+01 -0.128154D+01 -0.164549D+01 -0.131236D+01 -0.252299D+01
               236           237           238           239           240 
      1   0.187479D+01 -0.252299D+01  0.517780D+01 -0.202221D+01  0.188166D+01
      2  -0.128654D+01  0.921507D+00 -0.202221D+01  0.158183D+01 -0.140862D+01
      3   0.921507D+00 -0.204967D+01  0.188166D+01 -0.140862D+01  0.161349D+01
               241           242           243           244           245 
      1  -0.446646D+01  0.108589D+01 -0.321910D+01 -0.158220D+00  0.279719D+00
      2   0.108589D+01 -0.157195D+01  0.924229D+00  0.279719D+00  0.688771D+00
      3  -0.321910D+01  0.924229D+00 -0.241819D+01  0.166067D+01  0.330649D+00
               246           247           248           249           250 
      1   0.166067D+01  0.503847D+00  0.127177D+01  0.487271D+00  0.296226D+01
      2   0.330649D+00  0.127177D+01  0.171201D+01  0.114108D+01  0.698842D+00
      3   0.999467D+00  0.487271D+00  0.114108D+01  0.171923D+01  0.167472D+01
               251           252           253           254           255 
      1   0.698842D+00  0.167472D+01 -0.781357D+01 -0.539219D+01  0.792003D+00
      2   0.168411D+01  0.166117D+01 -0.539219D+01  0.185593D+01  0.348424D+00
      3   0.166117D+01  0.504897D+01  0.792003D+00  0.348424D+00  0.972981D+00
               256           257           258           259           260 
      1  -0.188137D+01  0.343940D+01 -0.649123D+00 -0.319339D+01 -0.115022D+01
      2   0.343940D+01 -0.289793D+00 -0.211591D+01 -0.115022D+01 -0.356075D+01
      3  -0.649123D+00 -0.211591D+01  0.296209D+01  0.229500D+01  0.284322D+01
               261           262           263           264           265 
      1   0.229500D+01  0.390693D+01 -0.309942D+01  0.966011D+00 -0.401412D+01
      2   0.284322D+01 -0.309942D+01  0.316168D+01 -0.668233D+00  0.441098D+01
      3   0.245972D+01  0.966011D+00 -0.668233D+00  0.906160D+00 -0.909604D+00
               266           267           268           269           270 
      1   0.441098D+01 -0.909604D+00 -0.950947D+00  0.956033D+00  0.435276D+00
      2  -0.626489D+01  0.117229D+01  0.956033D+00 -0.106838D+01 -0.459813D+00
      3   0.117229D+01 -0.136591D+01  0.435276D+00 -0.459813D+00  0.386815D+00
               271           272           273           274           275 
      1  -0.142917D+01  0.196379D+01  0.111203D+00  0.196672D+01 -0.148193D+01
      2   0.196379D+01 -0.348760D+01  0.264026D+00 -0.148193D+01  0.646253D+01
      3   0.111203D+00  0.264026D+00 -0.791945D+00 -0.691550D-01 -0.306324D-01
               276           277           278           279           280 
      1  -0.691550D-01  0.809820D+00 -0.120059D-01 -0.455110D+00  0.249317D+00
      2  -0.306324D-01 -0.120059D-01  0.147795D+01  0.456585D+00  0.183880D+00
      3   0.703289D+00 -0.455110D+00  0.456585D+00  0.401288D-02 -0.714399D+00
               281           282           283           284           285 
      1   0.183880D+00 -0.714399D+00 -0.687926D+00 -0.571550D+00  0.120778D+00
      2  -0.540691D+00  0.119670D+00 -0.571550D+00 -0.665896D+00 -0.214249D+00
      3   0.119670D+00 -0.802116D+00  0.120778D+00 -0.214249D+00 -0.128444D+01
               286           287           288           289           290 
      1  -0.166599D+01 -0.343993D+00  0.359319D-01  0.118989D+02  0.507550D+01
      2  -0.343993D+00 -0.141681D+01  0.537700D-01  0.507550D+01  0.342408D+01
      3   0.359319D-01  0.537700D-01 -0.606803D+01 -0.153372D+01 -0.964557D+00
               291           292           293           294           295 
      1  -0.153372D+01  0.334014D+01  0.245150D+01 -0.455973D+00  0.149606D-01
      2  -0.964557D+00  0.245150D+01  0.239890D+01 -0.299954D+00  0.112360D-01
      3   0.129139D+01 -0.455973D+00 -0.299954D+00  0.177950D+00  0.968013D+00
               296           297 
      1   0.112360D-01  0.968013D+00
      2   0.392754D+00  0.345933D+00
      3   0.345933D+00 -0.483360D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.211348D+01  0.614194D+00 -0.282342D+01  0.558270D+01  0.109877D+01
      2  -0.147261D+02  0.216227D+01  0.850506D+01  0.418596D+01 -0.546148D+00
      3  -0.293263D+01 -0.343487D+01 -0.389372D+01  0.126737D+02 -0.210980D+00
                 6             7             8             9            10 
      1  -0.278172D+01 -0.493685D+01  0.249705D+01  0.656973D+00 -0.518999D+01
      2  -0.858446D+00  0.431923D+01 -0.146922D+01 -0.469217D+01  0.181077D+02
      3  -0.353341D+01 -0.189635D+01  0.906786D+00  0.482564D+01  0.196674D+01
                11            12            13            14            15 
      1   0.518441D+00  0.174894D+01  0.895187D+00 -0.518311D+01 -0.760304D+01
      2   0.150315D+01 -0.300334D+01 -0.640633D+00  0.173365D+01 -0.182602D+01
      3   0.150233D+01  0.858671D+00  0.122803D+02 -0.402450D+00 -0.102840D+01
                16            17            18            19            20 
      1   0.868778D+01 -0.221611D+00  0.417420D+01 -0.100847D+01 -0.986761D+00
      2  -0.228824D+02 -0.177941D+01  0.342833D+01  0.100292D+02  0.277833D+01
      3   0.618205D+01 -0.164741D+01 -0.362548D+01 -0.495493D+01 -0.127312D+01
                21            22            23            24            25 
      1   0.879741D+00 -0.719042D+01 -0.378255D+01 -0.222615D+01  0.993628D+00
      2   0.502185D+01  0.808399D+01  0.387855D+01  0.188657D+01  0.316718D+01
      3  -0.436807D+00  0.108511D+02  0.302723D+01  0.236859D+01 -0.566577D+01
                26            27            28            29            30 
      1   0.263671D+01 -0.194798D+01  0.253422D+01  0.269857D+01  0.408071D+01
      2   0.190020D+01  0.182414D+01 -0.150780D+02 -0.386466D+01 -0.103815D+01
      3  -0.368345D+00 -0.207720D+01 -0.340363D+01 -0.382038D+00  0.166675D+01
                31            32            33            34            35 
      1   0.639380D+01 -0.182532D+01 -0.806547D+01  0.667347D+01 -0.212232D+00
      2  -0.671805D+01 -0.540354D+01 -0.194433D+01 -0.237773D+02 -0.264309D+01
      3   0.987235D+01  0.435243D+01 -0.198432D+00  0.334596D+01  0.269816D+01
                36            37            38            39            40 
      1   0.393989D+01 -0.371599D+01  0.647741D-01 -0.109489D+01  0.411877D+01
      2   0.253660D+01  0.609453D+01  0.504237D+01  0.460464D+01  0.450361D+01
      3  -0.321144D+01 -0.161969D+01 -0.255942D+01 -0.344862D+01  0.990330D+01
                41            42            43            44            45 
      1   0.412798D+01 -0.729939D+00 -0.595356D+00  0.288105D+01  0.919607D-01
      2   0.887933D+00 -0.189014D+00 -0.129684D+02 -0.305295D+01 -0.318565D+00
      3  -0.860990D+00 -0.401313D+01  0.121738D+01 -0.142997D+01  0.355918D+01
                46            47            48            49            50 
      1   0.473018D+01 -0.228089D+01 -0.952051D+00 -0.645092D+01 -0.913737D+00
      2  -0.745638D+01 -0.218850D+01  0.392607D+01 -0.486508D+01  0.437715D+00
      3  -0.453480D+01 -0.132462D+01 -0.362434D+00  0.927312D+01  0.255916D+01
                51            52            53            54            55 
      1  -0.203916D+01  0.450201D+01  0.380488D+01 -0.667367D+00  0.449731D+01
      2   0.265497D+01 -0.103451D+02 -0.120318D+01 -0.163616D+00 -0.868612D+01
      3   0.354956D+01 -0.651776D+01  0.765321D+00 -0.176786D+01 -0.118772D+02
                56            57            58            59            60 
      1  -0.141538D+01  0.128175D+01 -0.342553D+01  0.651818D+01 -0.134464D+01
      2   0.162337D+01 -0.337295D+01  0.427120D+01 -0.999957D+01 -0.249359D+00
      3   0.298505D+01 -0.261601D+01  0.253679D+02  0.142106D+02  0.759217D+01
                61            62            63            64            65 
      1   0.476934D+01  0.359285D+01 -0.568591D+01 -0.478815D+01  0.516446D+00
      2  -0.251259D+02 -0.316336D+01  0.163562D+02  0.438997D+01 -0.388112D+01
      3  -0.856988D+01  0.931729D+01 -0.189521D+01  0.245826D+02 -0.750347D+01
                66            67            68            69            70 
      1  -0.326711D+00  0.454651D+00  0.135329D+01 -0.142608D+01 -0.416742D+01
      2   0.170377D+02 -0.104247D+02  0.971887D+01  0.543368D+00  0.189209D+02
      3   0.591711D+01 -0.745425D+01 -0.175503D+02 -0.860029D+01  0.110253D+02
                71            72            73            74            75 
      1   0.505631D+01 -0.403614D+00 -0.321699D+00  0.295762D+01 -0.581527D+01
      2  -0.498055D+00 -0.294141D+02 -0.169982D+01  0.708412D+01 -0.101256D+02
      3  -0.106491D+02  0.232415D+01 -0.281218D+02 -0.810321D+01 -0.510477D+01
                76            77            78            79            80 
      1   0.360476D+01 -0.724317D+01  0.575769D+00 -0.771918D+01  0.602277D+01
      2   0.897204D+01 -0.102554D+02  0.433417D+01 -0.182636D+02  0.701963D+01
      3  -0.290088D+01  0.994461D+01  0.752671D+01 -0.631494D+01  0.105944D+02
                81            82            83            84            85 
      1   0.818795D+01  0.239255D+01 -0.120553D+01  0.350184D+01 -0.239592D+01
      2   0.175512D+02 -0.220556D+01  0.733562D+01 -0.182915D+02  0.935140D+01
      3  -0.149837D+01 -0.210545D+02  0.475076D+01 -0.965419D+01  0.207821D+02
                86            87            88            89            90 
      1  -0.101461D+00 -0.325566D+01  0.527224D+01  0.670924D-01 -0.191401D+01
      2  -0.192044D+02 -0.120837D+01 -0.331495D+02 -0.352664D+01  0.205236D+02
      3   0.275171D+02  0.215344D+02 -0.103609D+02  0.201901D+02 -0.218628D+01
                91            92            93            94            95 
      1  -0.180802D+01 -0.603977D+00  0.220876D+01  0.110931D+01 -0.627088D+00
      2   0.313882D+00  0.145152D+01  0.418303D+00  0.206169D+01  0.620803D+01
      3  -0.110834D+02  0.283358D+01 -0.128161D+01  0.313320D+02 -0.152069D+01
                96            97            98            99           100 
      1  -0.793033D+00  0.514287D+01  0.756081D+01  0.223969D+01  0.217251D+01
      2  -0.102238D+02 -0.151510D+02 -0.118478D+02 -0.100291D+02  0.191996D+01
      3  -0.448660D+01 -0.193959D+01 -0.746304D+01  0.872682D+01  0.231086D+02
               101           102           103           104           105 
      1   0.308388D+01 -0.603533D+01 -0.735391D+00  0.105140D+01 -0.366487D+01
      2  -0.586864D+00  0.777283D-01 -0.233111D+00 -0.182567D+01  0.157816D+02
      3  -0.110161D+02  0.180753D+01 -0.157596D+01 -0.469965D+01 -0.650593D+00
               106           107           108           109           110 
      1  -0.414755D+01 -0.481790D+01  0.143054D+01 -0.174933D+01 -0.329968D+01
      2  -0.826250D+01  0.103335D+02  0.167813D+02 -0.107144D+02  0.817646D+00
      3   0.814813D+01 -0.623715D+01 -0.866355D+01 -0.210570D+01 -0.439516D+01
               111           112           113           114           115 
      1   0.293234D+01 -0.901452D+00  0.109382D+01 -0.299583D+01  0.438250D+00
      2   0.109463D+02 -0.543643D+00 -0.800204D+01 -0.104039D+02  0.676847D+01
      3  -0.457944D+00 -0.528662D+01  0.993594D+01  0.863280D+01 -0.926453D+01
               116           117           118           119           120 
      1   0.781822D+01 -0.596084D+01  0.294954D+01 -0.117705D+01  0.705689D+00
      2  -0.520703D+01 -0.362459D+02  0.595164D+01 -0.699901D+00  0.238288D+01
      3   0.139137D+02  0.701543D+01 -0.821770D+01  0.822151D+01 -0.248466D+01
               121           122           123           124           125 
      1  -0.185708D+01  0.272199D+01 -0.202106D+01 -0.260509D+01  0.673348D+01
      2   0.168617D+01  0.678461D+01 -0.261624D+01  0.655596D+00 -0.553543D+01
      3   0.103886D+02 -0.898848D+01 -0.434347D+01  0.378060D+01 -0.888924D+01
               126           127           128           129           130 
      1   0.500094D+01 -0.425131D+00  0.127814D+01 -0.418522D+00 -0.775110D+00
      2   0.185629D+02 -0.396848D+01 -0.604559D+00 -0.355509D+00 -0.189347D+01
      3   0.661892D+01  0.226580D+01 -0.226868D+00  0.603080D+00  0.316269D+01
               131           132           133           134           135 
      1   0.382260D+00 -0.326828D+01 -0.936472D+00  0.227483D+01 -0.248201D+01
      2   0.176619D+00  0.557822D+00 -0.320273D+01  0.466006D+00  0.211137D+01
      3  -0.920468D+00  0.195041D+00  0.182431D+01 -0.170138D+01 -0.323661D+00
               136           137           138           139           140 
      1  -0.128194D+01 -0.166652D+01  0.178823D+01 -0.160060D+00  0.212485D+00
      2   0.567319D+01 -0.159392D+00 -0.610765D+00  0.782921D+00  0.692346D-01
      3  -0.269980D+01 -0.998430D+00  0.119574D+01  0.819561D+00  0.653962D+00
               141           142           143           144           145 
      1  -0.156796D+01  0.739867D+00  0.301548D+01 -0.106708D+01  0.141532D+01
      2  -0.954309D+00 -0.483207D+01  0.181747D+00 -0.122882D+01 -0.455792D+01
      3  -0.185545D+00  0.163488D+01  0.164977D+01 -0.955768D+00  0.773165D+00
               146           147           148           149           150 
      1   0.242283D+01  0.597365D+00  0.261894D+00  0.131595D+01 -0.163452D+01
      2  -0.147062D+01 -0.929555D+00 -0.274027D+01 -0.702214D+00 -0.429573D+00
      3  -0.806537D+00  0.345466D-01  0.195560D+01 -0.619320D+00 -0.129749D+00
               151           152           153           154           155 
      1   0.648633D+00  0.431044D+01  0.267879D+00  0.202603D+00 -0.201196D+01
      2  -0.396163D+01 -0.441945D+00  0.756327D+00  0.593327D+01 -0.477757D+00
      3   0.721343D+00 -0.216996D+01 -0.874921D+00 -0.107446D+01 -0.127090D+01
               156           157           158           159           160 
      1   0.651947D+00  0.181562D+00  0.536648D+00 -0.110195D+01 -0.126985D+01
      2  -0.822309D+00  0.393227D+00  0.202370D-02 -0.107947D+01 -0.520036D+01
      3   0.494393D+00  0.147422D+01  0.449583D+00  0.159751D+00  0.219184D-01
               161           162           163           164           165 
      1   0.390979D+01  0.127582D+01  0.178579D+01 -0.357040D+00 -0.191683D+01
      2   0.387526D+00 -0.107740D+01 -0.441086D+01 -0.196509D+01  0.666018D+01
      3   0.190580D+01 -0.373645D+00  0.267928D+01 -0.325266D+01  0.775532D-01
               166           167           168           169           170 
      1   0.683823D+00  0.163178D+00 -0.102415D+01 -0.203723D+01  0.156662D+01
      2  -0.190829D+01 -0.128037D+01 -0.115715D+00  0.126019D+01  0.399213D+01
      3  -0.136313D+01 -0.190499D+01  0.133897D+01 -0.162485D+01  0.369477D+01
               171           172           173           174           175 
      1   0.696565D+01 -0.117332D+01 -0.256310D+00 -0.989254D+00 -0.143254D+01
      2  -0.177492D+02  0.384767D+01  0.696102D+00  0.254330D+01  0.264764D+01
      3  -0.112820D+01 -0.154701D+01 -0.286023D+01  0.378463D+00 -0.174354D+01
               176           177           178           179           180 
      1  -0.464869D+01 -0.417298D+01 -0.188440D+01 -0.169740D+01 -0.133863D+01
      2   0.614283D+01  0.348378D+01  0.400387D+01  0.447975D+01  0.118741D+01
      3  -0.229469D+02 -0.222687D+01  0.174053D+01 -0.710685D+01 -0.224650D+01
               181           182           183           184           185 
      1   0.156056D+01 -0.123096D+01  0.586849D-01 -0.341089D+00 -0.604571D+00
      2   0.986174D+01  0.340424D+00 -0.682915D+01 -0.395405D+00  0.294636D+01
      3  -0.319047D+01  0.119328D+01 -0.683793D+00  0.324095D+01  0.232993D+01
               186           187           188           189           190 
      1  -0.740602D+00 -0.317888D+00  0.318603D+01  0.356502D+00 -0.256117D+01
      2  -0.337811D+00 -0.105160D+02 -0.110729D+00  0.281085D+02 -0.480487D+01
      3  -0.236991D+01 -0.728645D+00 -0.327098D+01  0.191869D+00  0.232415D+01
               191           192           193           194           195 
      1  -0.304785D+00  0.384476D+01  0.106295D+00 -0.967057D+00 -0.174317D+01
      2   0.115624D+01  0.814510D+01 -0.219047D+00 -0.184849D+01 -0.633340D+00
      3  -0.342098D+01  0.540499D+00  0.799129D-01  0.434473D+00  0.177497D+01
               196           197           198           199           200 
      1   0.407369D+01  0.574447D+00 -0.118758D+02  0.267730D+01 -0.151037D+01
      2   0.487321D+01 -0.563788D+01 -0.243388D+02  0.587292D+01 -0.463953D+01
      3   0.173648D+01  0.716614D+01  0.304296D+01  0.604095D+01 -0.944782D+01
               201           202           203           204           205 
      1   0.432782D+01 -0.300260D+01  0.282175D+01 -0.434100D+01  0.380673D+01
      2   0.776810D+01 -0.471419D+01  0.762186D+01 -0.668394D+01  0.685621D+01
      3   0.198730D+01 -0.418727D+01  0.136416D+02 -0.496410D+01  0.267655D+01
               206           207           208           209           210 
      1  -0.155693D+01  0.372778D+01 -0.185046D+01 -0.217237D+00 -0.216058D+01
      2  -0.748317D+01  0.717627D+01 -0.266899D+01 -0.790473D+00 -0.722598D+00
      3  -0.104770D+02  0.442651D+01  0.259359D+02  0.121226D+02  0.129419D+01
               211           212           213           214           215 
      1  -0.571068D+00  0.360618D+00 -0.191199D+01 -0.161009D+01  0.200702D+00
      2  -0.932538D+00  0.297968D+00 -0.950768D+00 -0.345404D+01 -0.201001D+01
      3   0.123245D+02  0.925939D+01 -0.269205D+00  0.158947D+01 -0.120334D+01
               216           217           218           219           220 
      1  -0.111881D+01  0.133757D+01 -0.120189D+00 -0.186572D+01  0.611871D+00
      2  -0.153491D+01 -0.107916D+02 -0.219339D+01  0.133468D+02 -0.165665D+01
      3   0.281187D+01  0.147983D+01 -0.439152D+01  0.765150D+00 -0.370043D+01
               221           222           223           224           225 
      1   0.417500D+00 -0.118970D+01 -0.228053D+01  0.166648D+01  0.403101D+01
      2  -0.231366D+01  0.140807D+01  0.167589D+02  0.368807D+01 -0.318055D+02
      3  -0.342597D+01  0.157492D+01  0.163007D+01  0.681053D+01 -0.872060D+00
               226           227           228           229           230 
      1   0.344858D+00  0.258884D+00 -0.371735D+00  0.786521D+00  0.351528D+01
      2   0.225346D+01 -0.161382D+00  0.247324D+01  0.167088D+01  0.126711D+02
      3  -0.412779D+01 -0.269918D+01 -0.124056D+00 -0.791605D+01 -0.400657D+02
               231           232           233           234           235 
      1  -0.263773D+01 -0.538200D+00  0.157846D+01 -0.638481D+00 -0.280708D+01
      2   0.104201D+02  0.466970D+01  0.863868D+01  0.625121D+01  0.963907D+01
      3  -0.128866D+02 -0.177962D+01 -0.142759D+02 -0.770618D+01  0.137103D+02
               236           237           238           239           240 
      1   0.221811D+01 -0.130350D+01  0.214926D+01 -0.266064D+01  0.639108D+00
      2  -0.400564D+01  0.125227D+02 -0.696609D+01  0.689309D+01 -0.896372D+01
      3  -0.108709D+02  0.680335D+01 -0.122416D+02  0.110050D+02 -0.894768D+01
               241           242           243           244           245 
      1  -0.224805D+01  0.322095D+01 -0.137619D+01 -0.190864D+01  0.322265D-01
      2   0.136897D+02 -0.453603D+01  0.122254D+02  0.587993D+01  0.140107D+01
      3   0.819125D+01 -0.107413D+02  0.704979D+01 -0.102254D+01 -0.272614D+01
               246           247           248           249           250 
      1  -0.114059D+01 -0.469522D+00 -0.182121D+00 -0.233185D+01 -0.115913D+01
      2   0.322158D+01  0.128840D+01  0.299506D+01  0.563079D+01  0.354035D+00
      3   0.234077D+00 -0.186914D+01 -0.406311D+01 -0.286980D+01  0.371184D+00
               251           252           253           254           255 
      1   0.145674D+01 -0.494458D+01  0.344870D+01 -0.347628D+01 -0.429538D+01
      2   0.483944D+01  0.157161D+02 -0.567388D+01 -0.475035D+01  0.720004D+01
      3  -0.435194D+01 -0.396151D+01  0.195753D+01 -0.195603D+02  0.188039D+00
               256           257           258           259           260 
      1  -0.731573D+00  0.745106D+01 -0.676223D+01 -0.436313D+01 -0.145445D+01
      2  -0.659128D+01 -0.593219D+01  0.102877D+02  0.768168D+01  0.108249D+02
      3  -0.160880D+02  0.660833D+01  0.693266D+01  0.122408D+01  0.103408D+02
               261           262           263           264           265 
      1  -0.107679D+02 -0.231025D+01  0.266064D+01  0.108740D+01  0.377069D+01
      2   0.108739D+02  0.435262D+00 -0.421715D-01  0.346143D+01  0.604286D-01
      3  -0.658611D+01  0.801876D+01 -0.105377D+02  0.265771D+01 -0.123217D+02
               266           267           268           269           270 
      1  -0.519261D+01 -0.144635D+01  0.405053D+00 -0.343549D+00 -0.104618D+01
      2   0.741520D+00 -0.531288D+01  0.131025D+01 -0.182273D+01  0.409846D+00
      3   0.225348D+02 -0.388936D+01 -0.296031D+01  0.408356D+01  0.148155D+01
               271           272           273           274           275 
      1  -0.250494D+01  0.274665D+01  0.329563D+01  0.194474D+01 -0.594416D+01
      2  -0.153511D+01  0.243857D+01 -0.144511D+01  0.187770D+01 -0.209884D+01
      3  -0.115748D+02  0.136118D+02  0.602730D-01  0.113339D+02 -0.226919D+02
               276           277           278           279           280 
      1  -0.349519D+01  0.198985D+01 -0.950174D+00 -0.911414D+00  0.236281D+01
      2   0.107008D+01 -0.209799D+01  0.830439D+00 -0.438333D+00 -0.386397D+01
      3  -0.383366D+00  0.232563D+01 -0.443295D+01 -0.251622D+01 -0.509932D+00
               281           282           283           284           285 
      1   0.140321D+01  0.191942D+01  0.130650D+01  0.303196D+01  0.263084D+01
      2  -0.257440D+00 -0.313964D+01 -0.222866D+01 -0.176770D+01 -0.448043D+01
      3   0.158129D+01 -0.139334D+01  0.195872D+01  0.123048D+01  0.677278D+00
               286           287           288           289           290 
      1   0.118110D+01  0.475360D+01  0.140189D+02 -0.112073D+01 -0.135371D+01
      2  -0.428424D+01 -0.737613D+00 -0.196596D+02  0.447927D+01  0.406920D+00
      3  -0.168834D+01  0.350752D+01 -0.389696D+00  0.623842D+01 -0.506937D+01
               291           292           293           294           295 
      1  -0.340125D+01 -0.136272D+01 -0.179671D+01 -0.126836D+01 -0.193742D+01
      2   0.616213D+01  0.183386D+01  0.973195D+00  0.140236D+01  0.197962D+01
      3   0.880855D+00 -0.219859D+00 -0.425166D+01 -0.430997D-01 -0.756194D-01
               296           297 
      1   0.197770D+00  0.127788D+01
      2   0.553176D+00 -0.152295D+01
      3  -0.112878D+01  0.785177D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.560723D+01 -0.474445D+01 -0.208834D+02  0.104501D+02 -0.123746D+02
      2  -0.457828D+00 -0.382964D-01  0.365349D+01 -0.104109D+01  0.198882D+02
      3   0.606506D+01  0.478275D+01  0.172299D+02 -0.940900D+01 -0.751364D+01
      4  -0.668846D+01 -0.337290D+01 -0.833863D+01  0.275081D+01 -0.145311D+01
      5  -0.185598D+02 -0.692267D+01  0.128532D+01 -0.718451D+01 -0.207293D+01
      6  -0.990880D+01 -0.193566D+00 -0.234029D+00 -0.310919D+01  0.118510D+01
                 6             7             8             9            10 
      1  -0.436474D+01  0.281260D+02  0.109076D+02  0.138974D+02  0.521640D+02
      2   0.846625D+01 -0.694890D+01 -0.105644D+01 -0.615111D+01 -0.194815D+02
      3  -0.410150D+01 -0.211771D+02 -0.985115D+01 -0.774625D+01 -0.326825D+02
      4  -0.136374D+01  0.514850D+01  0.167261D+01 -0.389795D+01  0.463965D+01
      5  -0.696878D+01  0.140827D+02 -0.358915D+01 -0.384443D+01  0.752941D+01
      6   0.183757D+01 -0.548819D+01 -0.354998D+01 -0.111591D+02  0.910805D+00
                11            12            13            14            15 
      1   0.430613D+01  0.417764D+01  0.193247D+01 -0.269536D+01 -0.653995D+01
      2  -0.105805D+00  0.301983D+01  0.351771D+01  0.783853D+01  0.289028D+01
      3  -0.420032D+01 -0.719747D+01 -0.545018D+01 -0.514317D+01  0.364967D+01
      4   0.479529D+00  0.352239D+01  0.145201D+02  0.425233D+01  0.149252D+00
      5   0.462621D+01  0.635647D+01 -0.948923D+01  0.726340D+00  0.222347D+01
      6   0.640087D+00  0.225862D+01 -0.782647D+01 -0.585252D+01  0.956114D+01
                16            17            18            19            20 
      1   0.103948D+02 -0.716516D+01 -0.166962D+02  0.476365D+01  0.120559D+02
      2  -0.568063D+01 -0.498162D+01  0.120445D+01  0.469274D+01 -0.951054D+01
      3  -0.471415D+01  0.121468D+02  0.154917D+02 -0.945639D+01 -0.254534D+01
      4  -0.122574D+02 -0.151383D+00 -0.142968D+01  0.167718D+01  0.600994D+01
      5  -0.142693D+02 -0.309675D+00 -0.228034D+01  0.185528D+02  0.317584D+01
      6  -0.334233D+01  0.835279D+00  0.629897D+01  0.733953D+01 -0.222763D+01
                21            22            23            24            25 
      1   0.217686D+02 -0.916814D+01 -0.279752D+01  0.156764D+02 -0.200109D+02
      2  -0.947427D+01 -0.187757D+01  0.639760D+01  0.162349D+00  0.319018D+01
      3  -0.122944D+02  0.110457D+02 -0.360008D+01 -0.158387D+02  0.168207D+02
      4   0.467822D+01  0.704609D+01 -0.625116D+01 -0.504635D+00 -0.234259D+01
      5  -0.483447D+01  0.974086D+01  0.145006D+01  0.375667D+00  0.104643D+02
      6  -0.518301D+01  0.372487D+01 -0.108989D+00  0.415880D+01  0.127138D+02
                26            27            28            29            30 
      1   0.385746D+01  0.571280D+01  0.106526D+02  0.206942D+01 -0.367620D+01
      2  -0.327616D+00  0.858413D+00 -0.478794D+00  0.485265D+00 -0.953493D+00
      3  -0.352984D+01 -0.657121D+01 -0.101738D+02 -0.255469D+01  0.462969D+01
      4  -0.191310D+00  0.709051D+01  0.650187D+01  0.389458D+01  0.890225D+00
      5   0.639192D+01  0.593071D+01 -0.178622D+01  0.933064D+00  0.740648D+01
      6   0.635166D+01 -0.772820D+01 -0.713974D+01  0.219664D+01  0.259197D+01
                31            32            33            34            35 
      1  -0.621366D+01 -0.215549D+01 -0.804088D+01  0.495882D+01 -0.531196D+01
      2   0.605931D+01  0.555523D+01  0.322117D+00 -0.646039D+01 -0.777556D+01
      3   0.154354D+00 -0.339975D+01  0.771876D+01  0.150157D+01  0.130875D+02
      4   0.174121D+02  0.224221D+00 -0.282576D+01 -0.118374D+02 -0.662392D+01
      5  -0.141038D+02 -0.255452D+01  0.258276D+01 -0.152605D+02 -0.235916D+00
      6  -0.217504D+01 -0.377054D+01  0.798367D+01 -0.671686D+01  0.208664D+00
                36            37            38            39            40 
      1  -0.213057D+02  0.931634D+01 -0.232727D+01 -0.265054D+02  0.549715D+01
      2   0.475144D+01 -0.873986D+01 -0.135983D+01  0.272372D+01  0.424594D+01
      3   0.165543D+02 -0.576481D+00  0.368711D+01  0.237817D+02 -0.974309D+01
      4   0.634019D+00 -0.880906D+01 -0.512577D+01 -0.912964D+01  0.934302D+01
      5   0.969844D+00 -0.769629D+01 -0.628389D+01 -0.438183D+01 -0.496592D+01
      6   0.709543D+01 -0.619757D+01  0.127423D+01 -0.481003D+01 -0.291903D+01
                41            42            43            44            45 
      1  -0.107598D+02 -0.246117D+00  0.197190D+02  0.851305D+01  0.864114D+01
      2   0.143435D+02  0.804082D+01 -0.894667D+00  0.331106D+01 -0.591821D+01
      3  -0.358374D+01 -0.779470D+01 -0.188243D+02 -0.118241D+02 -0.272293D+01
      4   0.364523D+00 -0.160181D+01  0.554399D+00  0.447532D+01 -0.466838D+01
      5  -0.855974D+00 -0.109467D+02  0.802104D+01 -0.521833D+01 -0.299521D+01
      6   0.430199D+01  0.617510D+01 -0.823686D+01 -0.242999D+01 -0.130228D+02
                46            47            48            49            50 
      1  -0.604656D+01  0.824929D+01  0.221089D+02 -0.244737D+02 -0.473710D+01
      2   0.890414D+01 -0.406666D+01 -0.812323D+01  0.796911D+01  0.404065D+01
      3  -0.285758D+01 -0.418263D+01 -0.139856D+02  0.165046D+02  0.696454D+00
      4  -0.783468D+00  0.786735D+01  0.442714D+01  0.105448D+02 -0.402320D+01
      5   0.109659D+02  0.978231D+00 -0.967538D+01  0.430722D+01 -0.286787D+01
      6   0.439422D+01 -0.496313D+01 -0.742888D+01  0.105440D+01 -0.114488D+01
                51            52            53            54            55 
      1   0.201865D+02 -0.314470D+02  0.357910D+01 -0.199700D+01 -0.494745D+02
      2   0.875988D+00  0.496758D+01  0.689622D+00  0.346047D+01  0.213157D+02
      3  -0.210625D+02  0.264794D+02 -0.426872D+01 -0.146347D+01  0.281588D+02
      4  -0.675129D+00 -0.481132D+01 -0.172973D+01  0.531337D+01  0.963219D+01
      5   0.133243D+01  0.111243D+01  0.499289D+01  0.768656D+01 -0.823750D+01
      6   0.984867D+01  0.100209D+02  0.788409D+01 -0.111183D+02 -0.247915D+01
                56            57            58            59            60 
      1   0.102854D+02 -0.633785D+01  0.445551D+02 -0.197176D+01  0.124612D+02
      2  -0.592474D+01  0.462813D+00 -0.317386D+02 -0.160167D+02 -0.108865D+02
      3  -0.436065D+01  0.587504D+01 -0.128165D+02  0.179884D+02 -0.157462D+01
      4  -0.101112D+02  0.475316D+01 -0.262185D+02 -0.369624D+02 -0.116850D+02
      5   0.440204D+01 -0.156521D+02  0.112573D+02 -0.118892D+02 -0.110288D+00
      6   0.105596D+01 -0.354605D+01 -0.829592D-01 -0.641641D+01 -0.725905D+00
                61            62            63            64            65 
      1  -0.344844D+02  0.100854D+02 -0.147293D+02 -0.175495D+02 -0.395032D+02
      2   0.828582D+01 -0.116174D+02  0.128372D+02  0.136008D+02  0.195541D+02
      3   0.261986D+02  0.153199D+01  0.189207D+01  0.394873D+01  0.199490D+02
      4   0.800987D+01 -0.176543D+02 -0.776662D+01 -0.436769D+02  0.513996D+01
      5  -0.321203D+02 -0.720349D+01  0.345435D+02 -0.570540D+01 -0.120131D+02
      6  -0.668147D+01 -0.345336D+01  0.894687D+01 -0.312930D+01 -0.269387D+01
                66            67            68            69            70 
      1  -0.935030D+01 -0.813344D+02  0.124096D+02 -0.142734D+02  0.113320D+02
      2   0.574189D+00  0.432856D+02 -0.856367D+01  0.600756D+01 -0.542341D+01
      3   0.877611D+01  0.380488D+02 -0.384593D+01  0.826586D+01 -0.590856D+01
      4  -0.107088D+02  0.129256D+02  0.380193D+02  0.167765D+02 -0.136763D+02
      5   0.234985D+02 -0.225638D+02  0.177179D+02 -0.152278D+01  0.440196D+02
      6  -0.159365D+01  0.234793D+01 -0.103032D+01 -0.276552D+00 -0.427418D-01
                71            72            73            74            75 
      1  -0.934714D+01  0.449883D+02  0.382885D+02  0.347654D+02 -0.264678D+01
      2   0.236815D+01 -0.131055D+02 -0.303279D+02 -0.152429D+02 -0.403361D+01
      3   0.697899D+01 -0.318827D+02 -0.796059D+01 -0.195225D+02  0.668039D+01
      4   0.197234D+02 -0.753485D+00  0.303097D+02 -0.190463D+02  0.125835D+02
      5  -0.314411D-01 -0.450551D+02 -0.475264D+01  0.127096D+02 -0.243478D+02
      6   0.495617D+01  0.172098D+00  0.726799D+01 -0.457687D+01  0.118664D+02
                76            77            78            79            80 
      1   0.414981D+02 -0.179357D+02  0.618444D+01 -0.612416D+01  0.826857D+01
      2  -0.184687D+02  0.135345D+02  0.397145D+01 -0.584614D+01  0.405097D+01
      3  -0.230294D+02  0.440114D+01 -0.101559D+02  0.119703D+02 -0.123195D+02
      4  -0.236849D+02 -0.145932D+02 -0.242852D+02  0.151576D+02 -0.321104D+02
      5   0.152554D+02 -0.230973D+02  0.812981D+01 -0.355177D+02  0.150745D+02
      6  -0.796942D+01  0.125210D+02 -0.352358D+01  0.137260D+02 -0.738328D+01
                81            82            83            84            85 
      1  -0.273014D+02  0.301245D+02  0.451279D+02  0.211023D+01  0.648273D+02
      2   0.165331D+02 -0.958341D+01 -0.257598D+02  0.236069D+01 -0.383470D+02
      3   0.107683D+02 -0.205411D+02 -0.193681D+02 -0.447091D+01 -0.264803D+02
      4   0.219241D+02  0.484282D+02 -0.484424D+01  0.196672D+02 -0.197851D+02
      5   0.380294D+02 -0.119601D+01  0.216630D+02 -0.397183D+02  0.284248D+02
      6  -0.119662D+02  0.623995D+01 -0.779748D+00 -0.936298D+00 -0.532856D+01
                86            87            88            89            90 
      1  -0.693891D+01  0.279925D+02 -0.435616D+01  0.239439D+02 -0.549525D+02
      2  -0.943301D+00 -0.194663D+02  0.493536D+01 -0.171277D+02  0.274481D+02
      3   0.788221D+01 -0.852620D+01 -0.579195D+00 -0.681618D+01  0.275044D+02
      4  -0.486026D+02 -0.358322D+02  0.216123D+02 -0.334324D+02 -0.337665D+01
      5  -0.384125D+02  0.350283D+01 -0.606436D+02 -0.179607D+01  0.344114D+02
      6  -0.121688D+02 -0.718965D+01 -0.222198D+01 -0.731010D+01  0.527407D+01
                91            92            93            94            95 
      1   0.744849D+01  0.170026D+02 -0.751800D+01  0.275682D+02 -0.135997D+02
      2  -0.243585D+01 -0.122416D+02  0.486193D+01 -0.175647D+02  0.413332D+01
      3  -0.501264D+01 -0.476097D+01  0.265608D+01 -0.100035D+02  0.946641D+01
      4   0.123830D+02 -0.108591D+02  0.102439D+01 -0.390069D+02 -0.313074D+01
      5  -0.569756D+01  0.103482D+01 -0.588456D+01  0.832638D+01  0.676602D+01
      6   0.240529D+00  0.136886D+01 -0.557263D+01  0.559760D+01  0.784634D+01
                96            97            98            99           100 
      1  -0.232781D+01 -0.699101D+00 -0.428607D+01  0.175195D+01 -0.470765D+01
      2   0.402330D+01  0.685328D+01  0.114366D+02 -0.270278D+01  0.546934D+01
      3  -0.169549D+01 -0.615418D+01 -0.715053D+01  0.950825D+00 -0.761687D+00
      4   0.685105D+01  0.945939D+01  0.165775D+02 -0.239734D+02  0.320093D+01
      5  -0.196006D+02 -0.132810D+02 -0.230273D+02 -0.213801D+02  0.152445D+02
      6  -0.100487D+02 -0.124972D+02 -0.123167D+02 -0.727863D+01 -0.108077D+01
               101           102           103           104           105 
      1  -0.512192D+01  0.974559D+01  0.760983D+01  0.167014D+02 -0.210064D+01
      2   0.381378D+01 -0.685391D+01 -0.893962D+01 -0.605057D+01  0.223980D+01
      3   0.130814D+01 -0.289168D+01  0.132979D+01 -0.106509D+02 -0.139161D+00
      4   0.883612D+01 -0.101141D+01  0.158708D+02 -0.828888D+01 -0.565917D+00
      5  -0.443192D+00 -0.151800D+02 -0.201641D+01 -0.339264D+00  0.295838D+02
      6   0.949929D-01  0.838240D+01 -0.207721D+01  0.203553D+01 -0.680930D+01
               106           107           108           109           110 
      1   0.281160D+02 -0.666996D+01 -0.166094D+02  0.443951D+02 -0.928040D+01
      2  -0.130021D+02 -0.878755D+00  0.146303D+02 -0.257770D+02  0.412932D+01
      3  -0.151139D+02  0.754872D+01  0.197909D+01 -0.186181D+02  0.515107D+01
      4  -0.144369D+02  0.116534D+02  0.213498D+02 -0.155125D+02  0.121180D+02
      5  -0.351165D+02  0.214207D+02  0.283503D+02 -0.375481D+02  0.328370D+01
      6   0.113965D+02 -0.129135D+02 -0.548765D+01  0.736555D+01 -0.318401D+01
               111           112           113           114           115 
      1  -0.271212D+02 -0.139973D+02  0.144824D+01 -0.170702D+00 -0.490212D+02
      2   0.180691D+02  0.454679D+01  0.360535D+01 -0.670321D+00  0.286828D+02
      3   0.905217D+01  0.945055D+01 -0.505359D+01  0.841023D+00  0.203384D+02
      4   0.575420D+01  0.191424D+02 -0.168668D+02 -0.177013D+02  0.196981D+02
      5   0.303902D+02  0.928756D+01 -0.183106D+02 -0.202138D+02  0.459804D+02
      6  -0.583607D+01 -0.392903D+01  0.884978D+01  0.143373D+02 -0.767398D+01
               116           117           118           119           120 
      1   0.499582D+01  0.132980D+02  0.275363D+01  0.844658D+01  0.145211D+02
      2  -0.143867D+01 -0.235432D+02 -0.103167D+02  0.335990D+01 -0.102691D+02
      3  -0.355715D+01  0.102453D+02  0.756304D+01 -0.118065D+02 -0.425197D+01
      4  -0.278401D+02 -0.141391D+02  0.162197D+02 -0.216650D+02 -0.847763D+00
      5  -0.138823D+02 -0.757606D+02  0.132184D+02  0.261796D+01  0.102172D+02
      6   0.145874D+02  0.197198D+02 -0.805755D+00 -0.159964D+01 -0.129977D+01
               121           122           123           124           125 
      1   0.167431D+02 -0.276218D+02  0.685181D+01  0.270170D+02  0.868307D-01
      2   0.145359D+01  0.759858D+01 -0.463785D+01 -0.155331D+02 -0.256026D+01
      3  -0.181967D+02  0.200233D+02 -0.221395D+01 -0.114838D+02  0.247343D+01
      4  -0.260461D+02  0.308965D+02  0.699345D+01 -0.159233D+02  0.197083D+02
      5   0.770111D+00  0.649474D+01 -0.569305D+01  0.289742D+02 -0.175367D+02
      6  -0.129052D+01 -0.475260D+01  0.860049D+01 -0.754295D+01  0.141358D+02
               126           127           128           129           130 
      1   0.435719D+01  0.490263D+00 -0.284436D+01 -0.203766D+01 -0.662327D+00
      2  -0.132642D+02 -0.100691D+01  0.255253D+01 -0.389112D-01 -0.412802D-01
      3   0.890703D+01  0.516650D+00  0.291839D+00  0.207657D+01  0.703607D+00
      4  -0.148471D+02  0.427852D+01  0.444341D+01  0.432850D+01  0.408005D+01
      5   0.422286D+02  0.748866D+01  0.467170D+01  0.831792D+01  0.603079D+01
      6  -0.145010D+02  0.520778D+01  0.448162D+01  0.602847D+01  0.486135D+01
               131           132           133           134           135 
      1  -0.717790D+01 -0.830263D+01 -0.323775D+01 -0.110464D+02 -0.187350D+02
      2   0.416150D+01  0.917469D+00 -0.130629D+01  0.476384D+01 -0.261498D+00
      3   0.301640D+01  0.738516D+01  0.454404D+01  0.628252D+01  0.189965D+02
      4   0.510147D+01  0.397587D+01  0.422793D+01  0.424075D+01  0.481038D+01
      5   0.555731D+01  0.813507D+01  0.950671D+01  0.641638D+01  0.139119D+02
      6   0.872667D+01  0.100426D+02  0.646260D+01  0.124994D+02  0.171781D+02
               136           137           138           139           140 
      1   0.282836D+01  0.290241D+00  0.230925D+01  0.124659D+01 -0.229727D+01
      2  -0.505911D+01  0.261144D+00  0.346734D+01  0.561256D+00  0.202391D+00
      3   0.223075D+01 -0.551385D+00 -0.577659D+01 -0.180784D+01  0.209488D+01
      4  -0.368473D+01  0.270456D+01  0.225606D+01  0.212327D+01 -0.171073D+01
      5  -0.881803D+01  0.124212D+01  0.889926D+01  0.238870D+01 -0.232485D+01
      6   0.880868D+00 -0.194197D+01 -0.123946D+01 -0.186505D+01  0.237017D+01
               141           142           143           144           145 
      1  -0.452881D+01  0.316723D+01 -0.355542D+01 -0.136008D+02 -0.271931D+01
      2  -0.927646D+00  0.417781D+01  0.535837D+00 -0.692366D+01 -0.234642D+01
      3   0.545646D+01 -0.734504D+01  0.301958D+01  0.205244D+02  0.506573D+01
      4  -0.235916D+01  0.465108D+01 -0.445042D+01 -0.604031D+01  0.439648D+01
      5  -0.232499D+01  0.113934D+02 -0.298070D+01 -0.150002D+02  0.981695D+01
      6   0.354447D+01 -0.348080D+01  0.553558D+01  0.685947D+01  0.593667D+01
               146           147           148           149           150 
      1  -0.355839D+01 -0.507107D+01 -0.374952D+01 -0.745898D+01 -0.120804D+02
      2   0.933529D+00 -0.202276D+01 -0.123268D+01  0.151095D+01 -0.185510D+01
      3   0.262486D+01  0.709383D+01  0.498220D+01  0.594803D+01  0.139355D+02
      4   0.434523D+01  0.399611D+01  0.303990D+01  0.359654D+01  0.321685D+01
      5   0.566358D+01  0.114265D+02  0.667725D+01  0.532803D+01  0.958999D+01
      6   0.523967D+01  0.679486D+01  0.454714D+01  0.817107D+01  0.103152D+02
               151           152           153           154           155 
      1  -0.717030D+01 -0.122113D+02 -0.255175D+02  0.361861D+00 -0.546840D+00
      2  -0.266401D+01  0.125180D+01 -0.694118D+01 -0.840295D+01  0.107731D+01
      3   0.983430D+01  0.109595D+02  0.324587D+02  0.804108D+01 -0.530466D+00
      4   0.388048D+01  0.377529D+01  0.391383D+01 -0.353645D+01  0.303847D+01
      5   0.109512D+02  0.696088D+01  0.171782D+02 -0.154169D+02  0.192235D+01
      6   0.693759D+01  0.129810D+02  0.188961D+02  0.729440D+00 -0.260232D+01
               156           157           158           159           160 
      1   0.450747D+01  0.346972D+01 -0.226260D+01 -0.617623D+01  0.363800D+01
      2   0.865612D+01 -0.668782D-01 -0.238751D+00 -0.249354D+01  0.933022D+01
      3  -0.131636D+02 -0.340284D+01  0.250135D+01  0.866977D+01 -0.129682D+02
      4   0.290966D+01  0.118789D+01 -0.116451D+01 -0.275235D+01  0.473878D+01
      5   0.164734D+02  0.202195D+01 -0.271674D+01 -0.363912D+01  0.169417D+02
      6  -0.224376D+00 -0.178716D+01  0.224266D+01  0.348703D+01 -0.306618D+01
               161           162           163           164           165 
      1  -0.333575D+01 -0.200598D+02  0.144157D+02 -0.636385D+00 -0.720028D+01
      2  -0.106214D+01 -0.153353D+02 -0.109329D+02  0.611968D+00  0.604599D+01
      3   0.439789D+01  0.353951D+02 -0.348281D+01  0.244162D-01  0.115429D+01
      4  -0.423052D+01 -0.599126D+01  0.314062D+01  0.710827D+01 -0.592937D+01
      5  -0.397303D+01 -0.246885D+02 -0.151306D+02 -0.527167D+01  0.178120D+02
      6   0.590945D+01  0.600582D+01 -0.352782D+01 -0.244993D+01  0.392155D+01
               166           167           168           169           170 
      1  -0.860491D+01 -0.112213D+01  0.880501D+00 -0.147384D+02  0.107965D+01
      2   0.483153D+01  0.181466D+01 -0.591759D+00  0.120582D+02  0.393104D+00
      3   0.377338D+01 -0.692531D+00 -0.288743D+00  0.268021D+01 -0.147275D+01
      4   0.542639D+01  0.556375D+01 -0.461996D+01 -0.837748D+01 -0.908485D+01
      5  -0.159309D+01 -0.502843D+01  0.281790D+00  0.214903D+02  0.106617D+02
      6  -0.200859D+01 -0.190718D+01  0.506979D+01  0.645108D+01  0.768286D+01
               171           172           173           174           175 
      1  -0.402918D+01  0.774072D+01  0.614174D+01  0.345268D+01  0.894057D+01
      2  -0.112229D+02  0.561697D+00 -0.104857D+01 -0.114310D+01  0.456183D+01
      3   0.152521D+02 -0.830242D+01 -0.509317D+01 -0.230959D+01 -0.135024D+02
      4   0.106091D+02  0.935982D+01  0.130625D+02  0.582630D+00  0.240394D+02
      5  -0.417229D+02  0.427407D+01 -0.201638D-01  0.399590D+01  0.154456D+01
      6  -0.140789D+02  0.154098D+01  0.308762D-02  0.676893D+00  0.123005D+01
               176           177           178           179           180 
      1  -0.162320D+02 -0.156521D+01  0.167611D+02 -0.361107D+01 -0.315160D-01
      2   0.369606D+02  0.411909D+01 -0.425960D+01  0.817730D+01  0.155949D+01
      3  -0.207286D+02 -0.255388D+01 -0.125015D+02 -0.456623D+01 -0.152798D+01
      4   0.518044D+02  0.610247D+01  0.698490D+01  0.158264D+02  0.782991D+01
      5   0.553216D+01  0.566577D+01  0.871972D+01  0.758392D+01  0.236080D+01
      6   0.290577D+01  0.556137D+01  0.312919D+01  0.699906D+01  0.269266D+01
               181           182           183           184           185 
      1  -0.117878D+02  0.487785D+01  0.133052D+02  0.101649D+02 -0.735249D+01
      2   0.164911D+01 -0.217522D+01 -0.229489D+01 -0.498097D+01  0.330339D+01
      3   0.101387D+02 -0.270263D+01 -0.110103D+02 -0.518391D+01  0.404910D+01
      4   0.571762D+01 -0.202091D+01  0.162447D+01  0.829938D+00 -0.487975D+01
      5   0.664787D+01  0.151033D+01 -0.553798D+01  0.137551D+01  0.313311D+01
      6  -0.421675D+00 -0.488213D+00  0.324379D+00 -0.132408D+01 -0.279699D-01
               186           187           188           189           190 
      1   0.226430D+01  0.220548D+02  0.336282D+01 -0.280443D+02  0.118300D+02
      2  -0.101192D+01 -0.804635D+01 -0.191927D+01 -0.700365D+01 -0.631571D+01
      3  -0.125238D+01 -0.140085D+02 -0.144354D+01  0.350479D+02 -0.551427D+01
      4   0.346215D+01  0.258018D+01  0.673411D+01 -0.737852D-02 -0.107212D+02
      5  -0.734965D+00 -0.217553D+01  0.347517D+00  0.450250D+02 -0.149424D+02
      6   0.679512D+01  0.221385D+00  0.382190D+01 -0.121509D+01  0.373890D+01
               191           192           193           194           195 
      1  -0.547029D+01 -0.112026D+02 -0.108157D+01  0.150247D+01 -0.228998D+01
      2   0.100480D+01  0.817280D+01 -0.887245D+00 -0.191305D+00  0.238331D+01
      3   0.446549D+01  0.302984D+01  0.196881D+01 -0.131117D+01 -0.933258D-01
      4   0.108377D+02  0.585087D+01  0.696473D+01 -0.354833D+01 -0.500997D+01
      5   0.342970D+01  0.197986D+02 -0.528071D+00 -0.499882D+01 -0.193337D+01
      6  -0.165363D+01 -0.660788D+01 -0.150745D+01  0.158319D+01  0.600567D+01
               196           197           198           199           200 
      1  -0.187766D+02 -0.113372D+01  0.803140D+01  0.304770D+02 -0.188637D+02
      2   0.123253D+02  0.311976D+01 -0.141148D+02 -0.730408D+01 -0.350479D-01
      3   0.645137D+01 -0.198605D+01  0.608339D+01 -0.231729D+02  0.188988D+02
      4   0.112417D+02 -0.152973D+02 -0.176584D+02 -0.373445D+02  0.353443D+02
      5   0.245299D+02 -0.135627D+02 -0.534651D+02  0.151315D+02 -0.103599D+02
      6  -0.863797D+01  0.880057D+01  0.202660D+02 -0.750187D+01  0.666557D+01
               201           202           203           204           205 
      1   0.102624D+02 -0.187120D+02  0.950402D+01 -0.366286D+01  0.187015D+02
      2  -0.258431D+01 -0.171806D+00  0.114680D+02 -0.331522D+01 -0.563989D+01
      3  -0.767808D+01  0.188838D+02 -0.209720D+02  0.697808D+01 -0.130616D+02
      4  -0.130359D+02  0.354636D+02 -0.435105D+02  0.177369D+02 -0.232220D+02
      5   0.154377D+02 -0.111519D+02  0.157530D+02 -0.121781D+02  0.198673D+02
      6  -0.770337D+01  0.747514D+01 -0.109988D+02  0.895246D+01 -0.968938D+01
               206           207           208           209           210 
      1  -0.602056D+01  0.899216D+01 -0.545136D+02 -0.234665D+02 -0.124140D+01
      2  -0.457426D+01 -0.385340D+01  0.319679D+02  0.206556D+02  0.104533D+01
      3   0.105948D+02 -0.513876D+01  0.225457D+02  0.281085D+01  0.196070D+00
      4   0.298091D+02 -0.190827D+02  0.529726D+01 -0.100114D+02 -0.168807D+01
      5  -0.160949D+02  0.156636D+02 -0.163215D+01 -0.240950D+01 -0.154236D+01
      6   0.112427D+02 -0.963297D+01 -0.146193D+01 -0.448816D+00  0.264293D+01
               211           212           213           214           215 
      1  -0.195686D+02 -0.182390D+02 -0.968008D+00 -0.196407D+01  0.888922D-01
      2   0.156768D+02  0.173558D+02 -0.593369D-01  0.178666D+01 -0.489307D+00
      3   0.389176D+01  0.883274D+00  0.102734D+01  0.177411D+00  0.400415D+00
      4   0.755170D-01 -0.597081D+01  0.168195D+01 -0.413679D+00  0.315610D+01
      5  -0.120437D+01  0.109712D+01 -0.233984D+01  0.259826D+01 -0.390048D+01
      6   0.755470D+00 -0.617236D+00  0.335103D+01  0.121252D+01  0.406561D+01
               216           217           218           219           220 
      1  -0.327690D+01  0.382314D+02  0.112206D+01 -0.221343D+02 -0.433927D+01
      2   0.141653D+01 -0.205518D+02  0.287659D+00  0.105962D+02  0.357927D+01
      3   0.186037D+01 -0.176795D+02 -0.140972D+01  0.115380D+02  0.759999D+00
      4  -0.393364D+01  0.301427D+01  0.821395D+01 -0.547772D+01  0.118610D+02
      5  -0.396653D+01 -0.215467D+02 -0.477227D+01  0.261410D+02 -0.383542D+01
      6   0.113055D+01 -0.293486D+01 -0.392558D+00  0.279758D+01 -0.112717D+01
               221           222           223           224           225 
      1   0.696832D+01 -0.381578D+01 -0.539883D+02 -0.918255D+01  0.332530D+02
      2  -0.224342D+01  0.168275D+01  0.279991D+02  0.383825D+01 -0.206851D+02
      3  -0.472490D+01  0.213303D+01  0.259893D+02  0.534430D+01 -0.125679D+02
      4   0.832984D+01 -0.491076D+01 -0.122935D+02 -0.140241D+02  0.744518D+01
      5  -0.434327D+01  0.220461D+01  0.409712D+02  0.706006D+01 -0.601461D+02
      6   0.302187D+00  0.400927D+01  0.385090D+01  0.414838D+01 -0.728084D+01
               226           227           228           229           230 
      1   0.311799D+01  0.853599D+01  0.461737D+01  0.236056D+02  0.500444D+01
      2  -0.672473D-01 -0.330266D+01 -0.220358D+01 -0.817559D+01  0.132353D+02
      3  -0.305074D+01 -0.523333D+01 -0.241380D+01 -0.154300D+02 -0.182397D+02
      4   0.774391D+01  0.954572D+01  0.197670D+01  0.319927D+02  0.795049D+02
      5   0.456305D+01  0.223756D+01  0.629746D+01  0.102067D+02  0.270768D+02
      6   0.232723D+01  0.897440D+00  0.343118D+00  0.573518D+01  0.169066D+02
               231           232           233           234           235 
      1  -0.783907D+00  0.114650D+02 -0.162284D+01  0.632620D+01  0.781314D+02
      2   0.193568D+01 -0.614124D+01  0.286963D+01 -0.442757D+01 -0.446216D+02
      3  -0.115178D+01 -0.532374D+01 -0.124679D+01 -0.189864D+01 -0.335098D+02
      4   0.258244D+02  0.844031D+01  0.273912D+02  0.165760D+02 -0.221288D+02
      5   0.204665D+02  0.164277D+02  0.172646D+02  0.138173D+02  0.368486D+02
      6   0.109521D+02  0.342379D+01  0.107747D+02  0.703080D+01 -0.318677D+01
               236           237           238           239           240 
      1  -0.223965D+02  0.282077D+02 -0.550692D+02  0.180758D+02 -0.179747D+02
      2   0.131840D+02 -0.187765D+02  0.309160D+02 -0.888829D+01  0.130035D+02
      3   0.921250D+01 -0.943126D+01  0.241532D+02 -0.918751D+01  0.497117D+01
      4   0.178544D+02 -0.106975D+02  0.257504D+02 -0.197395D+02  0.164501D+02
      5  -0.125446D+02  0.297346D+02 -0.259303D+02  0.173351D+02 -0.208437D+02
      6   0.210279D+01 -0.505511D+00  0.452798D+01 -0.360722D+01  0.421093D+01
               241           242           243           244           245 
      1   0.466571D+02 -0.112593D+02  0.291999D+02  0.273233D+01  0.531832D+00
      2  -0.301291D+02  0.877596D+01 -0.226076D+02 -0.345908D+01  0.122856D+00
      3  -0.165280D+02  0.248331D+01 -0.659231D+01  0.726747D+00 -0.654688D+00
      4  -0.130013D+02  0.183118D+02 -0.106056D+02  0.474433D+01  0.706243D+01
      5   0.430465D+02 -0.117739D+02  0.313374D+02  0.127832D+02  0.385205D+01
      6  -0.185530D+01  0.484161D+01 -0.300696D+01  0.562121D+01  0.139753D+01
               246           247           248           249           250 
      1   0.779866D+01 -0.363369D+00 -0.915378D+00 -0.110899D+01  0.106743D+02
      2  -0.477683D+01  0.132570D+01  0.301034D+01  0.134486D+01 -0.757721D+01
      3  -0.302184D+01 -0.962332D+00 -0.209496D+01 -0.235864D+00 -0.309709D+01
      4   0.431854D+01  0.106985D+02  0.111241D+02  0.784553D+01  0.630381D+01
      5   0.107256D+02  0.493304D+01  0.821236D+01  0.118065D+02  0.157291D+02
      6   0.304960D+01  0.283330D+01  0.578663D+01  0.903253D+01  0.510519D+01
               251           252           253           254           255 
      1  -0.316175D+01 -0.381523D+01 -0.416065D+02 -0.456600D+02  0.753799D+01
      2   0.147074D+01 -0.675561D+01  0.270909D+01  0.323884D+02  0.169102D+01
      3   0.169100D+01  0.105708D+02  0.388974D+02  0.132715D+02 -0.922900D+01
      4   0.117258D+02  0.123927D+02 -0.564600D+02 -0.874754D+01  0.529043D+01
      5   0.119604D+02  0.345807D+02  0.121633D+02  0.900055D+01  0.637663D+01
      6   0.848055D+01  0.153008D+02  0.563709D+01 -0.293296D-01  0.356178D+01
               256           257           258           259           260 
      1  -0.357505D+02  0.131058D+02  0.126978D+02 -0.260775D+01  0.141183D+02
      2   0.287813D+02 -0.165145D+02 -0.542623D+01  0.254882D+01 -0.124532D+02
      3   0.696926D+01  0.340869D+01 -0.727161D+01  0.589324D-01 -0.166502D+01
      4   0.505816D+01  0.719126D+01 -0.986642D+01 -0.507768D+01 -0.168244D+02
      5   0.208401D+01 -0.148977D+02  0.155777D+02  0.143272D+02  0.159355D+02
      6  -0.618658D+01 -0.969671D+01  0.134648D+02  0.104806D+02  0.160446D+02
               261           262           263           264           265 
      1   0.879478D+01  0.315856D+02 -0.226048D+02  0.528300D+01 -0.258204D+02
      2   0.139948D+02 -0.831874D+01  0.404967D+01 -0.193523D+01  0.165598D+01
      3  -0.227895D+02 -0.232669D+02  0.185551D+02 -0.334777D+01  0.241644D+02
      4   0.211180D+02 -0.340762D+02  0.322437D+02 -0.660183D+01  0.439112D+02
      5   0.135008D+02  0.111844D+02 -0.796176D+01  0.822915D+01 -0.109018D+02
      6   0.355347D+01 -0.429414D+01  0.411398D+01 -0.227251D+01  0.535299D+01
               266           267           268           269           270 
      1   0.199684D+02 -0.399624D+01 -0.694296D+01  0.638362D+01  0.147419D+01
      2   0.785675D+01  0.699852D+00 -0.471410D+00  0.135686D+01 -0.195086D+00
      3  -0.278251D+02  0.329639D+01  0.741437D+01 -0.774048D+01 -0.127911D+01
      4  -0.567599D+02  0.104233D+02  0.962226D+01 -0.107549D+02 -0.443334D+01
      5   0.124526D+02 -0.113822D+02  0.435946D+01 -0.402123D+01  0.292311D+01
      6  -0.813376D+01  0.499297D+01 -0.200297D+01  0.305197D+01 -0.115919D+01
               271           272           273           274           275 
      1  -0.119503D+02  0.260059D+02 -0.168196D+01  0.178976D+02 -0.361104D+02
      2   0.142856D+02 -0.289753D+02 -0.214756D+00 -0.162617D+02  0.504371D+02
      3  -0.233529D+01  0.296936D+01  0.189672D+01 -0.163592D+01 -0.143267D+02
      4   0.191738D+01 -0.555111D+01  0.118591D+01  0.425960D+01  0.214349D+02
      5   0.275624D+01 -0.260147D+01 -0.324969D+01 -0.396510D+01  0.411607D+01
      6  -0.106725D+01  0.405859D+01 -0.488004D+01  0.125440D+01 -0.608774D+01
               276           277           278           279           280 
      1   0.126345D+00  0.363596D+01 -0.571365D+01 -0.620524D+01  0.109479D+01
      2   0.685776D+00 -0.262488D+01  0.889339D+01  0.400002D+01 -0.208789D+01
      3  -0.812121D+00 -0.101108D+01 -0.317974D+01  0.220522D+01  0.993095D+00
      4  -0.247902D+00  0.177579D+01  0.677340D+01 -0.658279D+00  0.262722D+01
      5   0.286600D+01 -0.146136D+01  0.184205D+01  0.534750D+00 -0.355422D+01
      6   0.582201D+01 -0.281044D+01  0.458890D+01  0.887612D+00 -0.175089D+01
               281           282           283           284           285 
      1   0.472093D+01 -0.750399D+01 -0.629396D+00 -0.335884D+01 -0.280451D+01
      2  -0.432761D+01  0.847803D+00 -0.125822D+01 -0.354818D-01 -0.337166D+01
      3  -0.393322D+00  0.665618D+01  0.188762D+01  0.339432D+01  0.617617D+01
      4  -0.114209D+00 -0.205066D+01 -0.198069D+01 -0.522686D+01 -0.160141D+01
      5  -0.196484D+00 -0.875963D+00  0.136281D+01 -0.591464D+00 -0.734525D+01
      6   0.155751D+01 -0.292262D+01  0.120404D+01  0.153233D+01 -0.989084D+00
               286           287           288           289           290 
      1  -0.887661D+01  0.176741D+01 -0.179991D+02  0.768776D+02  0.246769D+02
      2   0.333912D+01 -0.557314D+01 -0.145294D+02 -0.240123D+02 -0.450913D+00
      3   0.553749D+01  0.380573D+01  0.325285D+02 -0.528652D+02 -0.242260D+02
      4  -0.620565D+01 -0.856212D+01 -0.303869D+01  0.673326D+02  0.399636D+02
      5   0.562630D+01  0.332383D+00 -0.324036D+02 -0.212700D+02 -0.101554D+02
      6   0.454827D+00  0.467402D+01 -0.193720D+02 -0.849046D+01 -0.692332D+01
               291           292           293           294           295 
      1  -0.536378D+01  0.174384D+02  0.899675D+01 -0.186489D+01  0.908400D+00
      2   0.233131D+01  0.273049D+00  0.629271D+01  0.272431D+00  0.105034D+01
      3   0.303246D+01 -0.177115D+02 -0.152895D+02  0.159245D+01 -0.195874D+01
      4  -0.910453D+01  0.307986D+02  0.244151D+02 -0.340295D+01 -0.211124D+00
      5   0.135309D+02 -0.656121D+01 -0.344718D+01  0.345293D+01  0.110994D+02
      6   0.755568D+01 -0.431010D+01 -0.394688D+01  0.292097D+01  0.554098D+01
               296           297 
      1  -0.106939D+01  0.520742D+01
      2   0.186687D+01 -0.413262D+01
      3  -0.797481D+00 -0.107480D+01
      4   0.140773D+01  0.529509D+01
      5   0.403234D+01 -0.459680D+01
      6   0.289913D+01 -0.230251D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.622966D+00      0.158342D+01      0.528172D+01
   x         -0.395197D+00     -0.100449D+01     -0.335062D+01
   y          0.116479D+00      0.296061D+00      0.987552D+00
   z          0.467266D+00      0.118767D+01      0.396165D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159851D+03      0.236875D+02      0.263558D+02
   aniso      0.751834D+02      0.111410D+02      0.123961D+02
   xx         0.207638D+03      0.307687D+02      0.342348D+02
   yx         0.859183D+01      0.127318D+01      0.141660D+01
   yy         0.129804D+03      0.192349D+02      0.214017D+02
   zx        -0.367802D+01     -0.545026D+00     -0.606423D+00
   zy         0.680300D+01      0.100810D+01      0.112166D+01
   zz         0.142111D+03      0.210587D+02      0.234310D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.170170D+03      0.252165D+02      0.280572D+02
   aniso      0.790735D+02      0.117175D+02      0.130375D+02
   xx         0.220394D+03      0.326590D+02      0.363381D+02
   yx         0.914028D+01      0.135445D+01      0.150703D+01
   yy         0.138644D+03      0.205450D+02      0.228593D+02
   zx        -0.432178D+01     -0.640422D+00     -0.712566D+00
   zy         0.699841D+01      0.103706D+01      0.115388D+01
   zz         0.151470D+03      0.224456D+02      0.249741D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.99629869         -1.16659233         -0.62187336
     6         -1.75483707         -1.24733482          2.00410421
     6         -0.07021343         -0.24004431         -2.13652369
     6          2.17462890          0.63549753         -1.06623725
     6          2.43510919          0.54002315          1.54674222
     6          0.49521669         -0.38240268          3.05813231
     6         -3.89475450         -2.18400460          3.62521449
     6         -6.09564098         -0.29327574          3.88218847
     6         -5.25290596          2.16509076          5.13814707
     6         -8.28755635         -1.49877103          5.32370596
     6          4.27618626          1.70037635         -2.70948339
     6          5.08435486         -0.30301368         -4.59334465
     8          4.28789540         -0.53411162         -6.71170882
     8          6.81301502         -1.89912656         -3.59571769
     1         -3.71873201         -1.85008203         -1.49425873
     1         -0.29772683         -0.22034128         -4.16976480
     1          4.17238522          1.19083807          2.41244704
     1          0.73707648         -0.43201145          5.09045120
     1         -3.18744803         -2.63664455          5.51447001
     1         -4.63430534         -3.94358732          2.83210369
     1         -6.74971277          0.15694319          1.96988184
     1         -4.56501341          1.80513489          7.05418313
     1         -6.82285844          3.49646454          5.27469901
     1         -3.73455167          3.07415846          4.08294267
     1         -7.71289306         -1.99705110          7.24533970
     1         -8.94233247         -3.22180452          4.39548544
     1         -9.88744631         -0.20376929          5.46483125
     1          5.89499024          2.07323949         -1.48944743
     6          3.48861887          4.13083532         -4.06245746
     1          7.15849612         -3.17592655         -4.86539219
     1          2.89918868          5.53632259         -2.67697489
     1          1.92125919          3.77471491         -5.34648956
     1          5.05089378          4.90098401         -5.16503231

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.622966D+00      0.158342D+01      0.528172D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.622966D+00      0.158342D+01      0.528172D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159851D+03      0.236875D+02      0.263558D+02
   aniso      0.751834D+02      0.111410D+02      0.123961D+02
   xx         0.178798D+03      0.264951D+02      0.294798D+02
   yx         0.136405D+02      0.202131D+01      0.224901D+01
   yy         0.129333D+03      0.191652D+02      0.213241D+02
   zx        -0.307896D+02     -0.456254D+01     -0.507651D+01
   zy        -0.616562D+01     -0.913651D+00     -0.101657D+01
   zz         0.171421D+03      0.254020D+02      0.282636D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.170170D+03      0.252165D+02      0.280572D+02
   aniso      0.790735D+02      0.117175D+02      0.130375D+02
   xx         0.189614D+03      0.280980D+02      0.312632D+02
   yx         0.143838D+02      0.213145D+01      0.237156D+01
   yy         0.138227D+03      0.204831D+02      0.227906D+02
   zx        -0.324799D+02     -0.481303D+01     -0.535522D+01
   zy        -0.671305D+01     -0.994771D+00     -0.110683D+01
   zz         0.182667D+03      0.270685D+02      0.301177D+02

 ----------------------------------------------------------------------
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 WHEN ALL ELSE FAILS, TRY THE BOSS'S SUGGESTION.
 Job cpu time:       1 days 11 hours 21 minutes 25.5 seconds.
 Elapsed time:       0 days  4 hours 25 minutes 19.3 seconds.
 File lengths (MBytes):  RWF=    703 Int=      0 D2E=      0 Chk=     24 Scr=      2
 Normal termination of Gaussian 16 at Wed Sep  8 16:54:59 2021.
